Basic information
- CAS
24028-40-8- Standard SMILES
O=c1[nH]nc(-c2ccccc2)s1- InChIKey
WOQMZUMEAUMDOO-UHFFFAOYSA-N- Molecular formula
- C8H6N2OS
- Average molar mass
- 178.21 g/mol
- Monoisotopic mass
- 178.02008381
Overview
See also: 5-Phenyl-2,3-dihydro-1,3,4-thiadiazol-2-one (annotation moved to).
Names & identifiers
- Preferred name
- 5-Phenyl-1,3,4-thiadiazol-2(3H)-one
- IUPAC
- 5-phenyl-3H-1,3,4-thiadiazol-2-one
- English name
- 5-phenyl-1,3,4-thiadiazol-2(3H)-one
- Molecular formula
- C8H6N2OS
- Molecular weight
- 178.21
Names & synonyms
5-phenyl-1,3,4-thiadiazol-2(3h)-oneRefChem:53765524028-40-81,3,4-Thiadiazol-2-ol, 5-phenyl-5-phenyl-3H-1,3,4-thiadiazol-2-one5-Phenyl-1,3,4-thiadiazol-2-olL 15412-Idrossi-5-fenil-1,3,4-tiadiazolo [Italian]2-Idrossi-5-fenil-1,3,4-tiadiazoloSCHEMBL818881SCHEMBL2208104SCHEMBL7310956
Show more names
1,3,4-Thiadiazol-2(3H)-one, 5-phenyl-
WOQMZUMEAUMDOO-UHFFFAOYSA-DTXSID20178770WOQMZUMEAUMDOO-UHFFFAOYSA-N2-phenyl-1,3,4-thiadiazolin-5-oneDA-07786EN300-2552259AE-484/30082026Z1486022130
Database identifiers
- CAS
24028-40-8- PubChem CID
- 212277
- DTXSID
DTXSID20178770
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
德拜科技有限公司00852-2521 1836
Related reactions
3 records
Compound notes
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