Basic information
- CAS
6322-60-7- Standard SMILES
O=C(O)c1ccc(N2C(=O)CSC2=S)cc1- InChIKey
GYORTKHHBDTZHY-UHFFFAOYSA-N- Molecular formula
- C10H7NO3S2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 252.98673508
Names & identifiers
- Preferred name
- 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
- IUPAC
- 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
- English name
- 4-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzoic acid
- Molecular formula
- C10H7NO3S2
- Molecular weight
- 253.3
Names & synonyms
4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acidRefChem:514471965-113-86322-60-74-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzoic acid4-(4-oxo-2-thioxothiazolidin-3-yl)benzoic acid4-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)benzoic acid4-(4-oxo-2-thioxo-thiazolidin-3-yl)benzoic acidNSC32119MFCD00086931Oprea1_835241MLS001178660
Show more names
RMA-4189PARA-(4-OXO-2-THIOXOTHIAZOLIDINO)-BENZOIC ACIDBenzoic acid, 4-(4-oxo-2-thioxo-3-thiazolidinyl)-
N-(4-Carboxyphenyl)rhodanineBenzoic acid,4-(4-oxo-2-thioxo-3-thiazolidinyl)-CHEMBL450802SCHEMBL6740798REGID_for_CID_233538DTXSID00283558GYORTKHHBDTZHY-UHFFFAOYSA-NHMS1725C19
Database identifiers
- CAS
6322-60-7- PubChem CID
- 233538
- DTXSID
DTXSID00283558
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
Solubility>38 [ug/mL] (The mean of the results at pH 7.4)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
韶关市启程生物科技有限公司18122215013 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
1 records
Compound notes
Loading…