1,2-Oxazole-4-carbothioamide
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Basic information
- CAS
68251-67-2- Standard SMILES
NC(=S)c1cnoc1- InChIKey
GWYHFVWUAHLFNY-UHFFFAOYSA-N- Molecular formula
- C4H4N2OS
- Average molar mass
- 128.15 g/mol
- Monoisotopic mass
- 128.00443393
Names & identifiers
- Preferred name
- 1,2-Oxazole-4-carbothioamide
- IUPAC
- 1,2-oxazole-4-carbothioamide
- English name
- ISOXAZOLE-4-CARBOTHIOIC ACID AMIDE
- Molecular formula
- C4H6N4O
- Molecular weight
- 126.12
Names & synonyms
1,2-oxazole-4-carbothioamideisoxazole-4-carbothioamideISOXAZOLE-4-CARBOTHIOIC ACID AMIDE885274-81-74-isoxazolecarbothioamideDTXSID50693007AKOS006291896EN300-81706G405771H-IMIDAZOLE-2-CARBOXYLIC ACID HYDRAZIDE
Database identifiers
- CAS
68251-67-2、885274-81-7- PubChem CID
- 53249686
- DTXSID
DTXSID50693007
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H332-H312-H319-H315
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H332-H312-H319-H315
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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