Basic information
- CAS
1378875-55-8- Standard SMILES
NC1CS(=O)(=O)CC1C(=O)O- InChIKey
RWVHIVRXZFWJRZ-UHFFFAOYSA-N- Molecular formula
- C5H9NO4S
- Average molar mass
- 179.2 g/mol
- Monoisotopic mass
- 179.02522894
Names & identifiers
- Preferred name
- 4-Aminotetrahydrothiophene-3-carboxylic acid 1,1-dioxide
- IUPAC
- 4-amino-1,1-dioxothiolane-3-carboxylic acid
- English name
- 4-Aminotetrahydrothiophene-3-carboxylic acid 1,1-dioxide
- Molecular formula
- C5H9NO4S
- Molecular weight
- 179.19
Names & synonyms
1378875-55-84-Aminotetrahydrothiophene-3-carboxylic acid 1,1-dioxide4-amino-1,1-dioxothiolane-3-carboxylic acid4-Aminotetrahydrothiophene-3-carboxylicacid1,1-dioxide3-Thiophenecarboxylic acid, 4-aminotetrahydro-, 1,1-dioxideDTXSID60695355DB-3320954-amino-1,1-dioxo-1-thiolane-3-carboxylic acid4-amino-1,1-dioxo-1lambda-thiolane-3-carboxylic acid4-Amino-1,1-dioxo-1lambda~6~-thiolane-3-carboxylic acid
Database identifiers
- CAS
1378875-55-8- PubChem CID
- 53404264
- DTXSID
DTXSID60695355
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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