Basic information
- CAS
130992-20-0- Standard SMILES
O=C(O)C(=O)Nc1nncs1- InChIKey
BKRSPAQARUBDQM-UHFFFAOYSA-N- Molecular formula
- C4H3N3O3S
- Average molar mass
- 173.15 g/mol
- Monoisotopic mass
- 172.98951196
Names & identifiers
- Preferred name
- Oxo(1,3,4-thiadiazol-2-ylamino)acetic acid
- IUPAC
- 2-oxo-2-(1,3,4-thiadiazol-2-ylamino)acetic acid
- English name
- Acetic acid, oxo(1,3,4-thiadiazol-2-ylamino)- (9CI)
- Molecular formula
- C4H3N3O3S
- Molecular weight
- 173.15
Names & synonyms
130992-20-0oxo(1,3,4-thiadiazol-2-ylamino)acetic acid2-oxo-2-(1,3,4-thiadiazol-2-ylamino)acetic acidMFCD09971245[(1,3,4-thiadiazol-2-yl)carbamoyl]formic acidAcetic acid, 2-oxo-2-(1,3,4-thiadiazol-2-ylamino)-acetic acid, oxo(1,3,4-thiadiazol-2-ylamino)-2-((1,3,4-Thiadiazol-2-yl)amino)-2-oxoacetic acidOxo[(1,3,4-thiadiazol-2-yl)amino]acetic acidSCHEMBL12467531DTXSID00649317BKRSPAQARUBDQM-UHFFFAOYSA-N
Show more names
Acetic acid, oxo(1,3,4-thiadiazol-2-ylamino)- (9CI)oxo(1,3,4-thiadiazol-2-ylamino)acetic acid(SALTDATA: FREE)
ALBB-009502AKOS005172205LS-03101CS-0205770H25180F3105012-(1,3,4-thiadiazol-2-ylamino)-2-oxoacetic acid2-((1,3,4-Thiadiazol-2-yl)amino)-2-oxoaceticacid
Database identifiers
- CAS
130992-20-0- PubChem CID
- 25220596
- DTXSID
DTXSID00649317
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Density
- 1.86 · 1.860±0.06 g/cm3(Predicted)
- pka
- 11.85 · 11.85±0.50(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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