2-[(carboxymethyl)thio]benzoic acid (CAS 135-13-7) — formula C9H8O4S, molecular weight 212.22; category organic chemicals.
| CAS Number | 135-13-7 |
|---|---|
| Molecular Formula | C9H8O4S |
| Molecular Weight | 212.22 |
| LogP | 1.6 |
| Category | Organic Chemicals |
2-[(carboxymethyl)thio]benzoic acid is a carbon-based organic compound with CAS registry number 135-13-7 and molecular formula C9H8O4S (molecular weight 212.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 135-13-7
Its molecular formula C9H8O4S comprises 9 C, 8 H, 4 O, 1 S atoms.
Also known as: 2-[(carboxymethyl)thio]benzoic acid · 2-[(羧甲基)硫基]苯甲酸
Category: organic chemicals
The CAS registry number of 2-[(carboxymethyl)thio]benzoic acid is 135-13-7.
Molecular formula C9H8O4S, molecular weight 212.22.
It is also registered under: 2-[(carboxymethyl)thio]benzoic acid, 2-[(羧甲基)硫基]苯甲酸.
Category: Organic Chemicals.
Independent reference data for 2-[(carboxymethyl)thio]benzoic acid (CAS 135-13-7), compiled from public chemistry databases.
| CAS Registry Number | 135-13-7 |
|---|---|
| PubChem CID | 8660 |
| Molecular formula | C9H8O4S |
| IUPAC name | 2-(carboxymethylsulfanyl)benzoic acid |
| UNII (FDA) | P2T1UOX9U3 |
| Molecular Weight | 212.22 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 212.01432991 |
| Monoisotopic Mass | 212.01432991 |
| Topological Polar Surface Area | 99.9 |
| Heavy Atom Count | 14 |
135-13-7; 2-[(carboxymethyl)thio]benzoic acid; 2-((Carboxymethyl)thio)benzoic acid; 2-[(carboxymethyl)sulfanyl]benzoic acid; (o-Carboxyphenylthio)acetic acid; 2-Carboxyphenylthioglycolic acid; Acetic acid,(2-carboxyphenyl)thio-; o-((Carboxymethyl)thio)benzoic acid; EINECS 205-178-5; BENZOIC ACID, (2-CARBOXYMETHYLTHIO)-; o-Carboxyphenylthioglycollic acid; NSC 379; (2-Carboxymethylthio)benzoic acid; NSC-5347; (o-Carboxyphenylmercapto)acetic acid; P2T1UOX9U3
| Reported hazard statements | H301 (100%), H311 (100%), H331 (100%) |
|---|
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
2-[(carboxymethyl)thio]benzoic acid · CAS 135-13-7 · C9H8O4S. UNII P2T1UOX9U3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[(羧甲基)硫基]苯甲酸