| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 10 | Yes |
Popular Name: 5-(methylthio)thiophene-2-carboxylic acid 5-(methylthio)thiophene-2-carbox…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20873-58-9 , [20873-58-9]
"5-(Methylthio)thiophene-2-carboxylic acid, 97%"
2-Thiophenecarboxylicacid, 5-(methylthio)-
5-(Methylthio)thiophene-2-carboxylic acid, 97%
5-Methylsulfanylthiophene-2-carboxylic acid
| 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) | 2.13 | -0.68 | -48.72 | 0 | 2 | -1 | 40 | 173.238 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 103 - 105 | Acros Organics |
| Melting_Point | 103-105? | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H312: Harmful in contact with skin; H315: Causes skin irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation | 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DNLI1-1-E | DNA Ligase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.70 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DNLI1_HUMAN | P18858 | DNA Ligase 1, Human | 10000 | 0.70 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Gap-filling DNA repair synthesis and ligation in GG-NER | |
| Gap-filling DNA repair synthesis and ligation in TC-NER | |
| Mismatch repair (MMR) directed by MSH2:MSH3 (MutSbeta) | |
| Mismatch repair (MMR) directed by MSH2:MSH6 (MutSalpha) | |
| Processive synthesis on the C-strand of the telomere | |
| Processive synthesis on the lagging strand | |
| Removal of DNA patch containing abasic residue | |
| Resolution of AP sites via the multiple-nucleotide patch replacement pathway | |
| Resolution of D-loop structures through Holliday junction intermediates |
