In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 9 | No |
Popular Name: 2-Chlorobenzyl mercaptan 2-Chlorobenzyl mercaptan
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17733-22-1 , 39718-00-8
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) | 2.86 | 0.35 | -2.89 | 0 | 0 | 0 | 0 | 158.653 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.86 | -0.61 | -43.75 | 0 | 0 | -1 | 0 | 157.645 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 120 - 121 (p=25 torr) | Acros Organics |
Boiling_Point | 120-122?/25mm | Alfa-Aesar |
Boiling_Point | 120-122°/25mm | Alfa-Aesar |
BP | 121 / 25 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97%min | APIChem |
H phrase | H312: Harmful in contact with skin | Acros Organics |
H phrase | H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
Hazard | XN: Harmful | Acros Organics |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
I23O1-2-E | Indoleamine 2,3-dioxygenase 1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 1200 | 0.92 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
I23O1_HUMAN | P14902 | Indoleamine 2,3-dioxygenase, Human | 1200 | 0.92 | Binding ≤ 10μM |
Description | Species |
---|---|
Tryptophan catabolism |