UCSF

ZINC00157468

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 Yes

Other Names:

"2-Thiophenecarboxylic acid sodium salt, 97%"

.alpha.-Thiophenecarboxylic acid; 2-Carboxythiophene; 2-TCA; 2-Thenoic acid; 2-Thienylcarboxylic acid; 2-Thiophenecarboxylic acid; 2-Thiophenic acid; Thiophene-2-carboxylate; alpha-Thiophenecarboxylic acid; bmse000848

2-carboxylatothiophene; 2-thienoate; 2-thiophenecarboxylate; thienyl-2-carboxylate

2-Carboxythiophene; 2-TCA; 2-Thenoic acid; 2-Thienylcarboxylic acid; 2-Thiophenecarboxylic acid; 2-Thiophenic acid; AI3-16118; BRN 0110150; C5H4O2S; EINECS 208-423-4; LS-152972; NSC 2188; alpha-Thiophenecarboxylic acid; sodium thiophenecarboxylate; thioph

2-Carboxythiophene; 2-Thenoic acid; 2-Thiophenic acid; 2-thiophenecarboxylic acid; Tenoic acid; alpha-thiophenecarboxylic acid

2-Thenoic acid

2-THIOPHENECARBOXYLIC ACID SODIUM SALT

2-Thiophenecarboxylic acid, 99%

2-Thiophenecarboxylic acid, ion

2-Thiophenecarboxylicacid

527-72-0; D08568; Rhinotrophyl (TN); Tenoic acid (DCF); Thiophene-2-carbixylic acid

CHEBI:41326

Copper (I) thiophene-2-carboxylate

Copper (I) thiophenecarboxylate

Copper(I) thiophene-2-carboxylate

Copper(I) thiophene-2-carboxylate hydrate

Copper(I) thiophene-2-carboxylate, 90%, may contain approx. 20 wt.% Copper(I) oxide

Copper(I) thiophene-2-carboxylate, 95%, may contain approx. 20 wt.% Copper(I) oxide

Copper(I)thiophene-2-carboxylate

COPPERTHIOPHENECARBOXYLAT

HI-1881

MFCD00005437

MFCD00064334

MFCD02183524

MFCD07779118

sodium thiophene-2-carboxylate

thiophene-2-carboxylate

Thiophene-2-carboxylic acid

Thiophene-2-carboxylic acid, 99%

THIOPHENECARBOXYLICACI

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 3.19 -49 0 2 -1 40 127.144 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 126 - 130 Acros Organics
Melting_Point 126-130? Alfa-Aesar
Melting_Point 126-130° Alfa-Aesar
MP 127-130° Fluorochem
MP 128 TCI
Boiling_Point 259-261? Alfa-Aesar
Boiling_Point 259-261° Alfa-Aesar
BP [°C] 260 Acros Organics
BP 260° Matrix Scientific
MP 46 - 48 Enamine Building Blocks
MP 46...48 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 96% Matrix Scientific
Purity 98% APIChem
Purity 99% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation; H411: Toxic to aquatic life with long lasting effects; H302: Harmful if swallowed Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings IRRITANT, AIR SENSITIVE, LIGHT SENSITIVE Matrix Scientific
Warnings Irritant/Light Sensitive/Air Sensitive/Refrigerate Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear pr Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S20: When using do not eat or drink. Acros Organics
S phrase S20: When using do not eat or drink.; S22: Do not breathe dust.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-3-O Hepatitis C Virus (cluster #3 Of 5), Other Other 630 1.09 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 160 1.19 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.