Basic information
- CAS
64047-46-7- Standard SMILES
O=S(=O)(Nc1ncccn1)c1ccc(N=C=S)cc1- InChIKey
HZRFQEQYOQGXDQ-UHFFFAOYSA-N- Molecular formula
- C11H8N4O2S2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.00886786
Names & identifiers
- Preferred name
- Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester
- IUPAC
- 4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide
- English name
- 4-Isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide
- Molecular formula
- C11H8N4O2S2
- Molecular weight
- 292.34
Names & synonyms
64047-46-7p-(2-Pyrimidylsulfamyl)phenyl isothiocyanateBRN 0268862ISOTHIOCYANIC ACID, p-(2-PYRIMIDYLSULFAMYL)PHENYL ESTERDTXSID002141254-25-00-02108 (Beilstein Handbook Reference)NSC 403393RefChem:350184DTXCID001366164-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide4-isothiocyanato-N-(pyrimidin-2-yl)benzenesulfonamide4-isothiocyanato-N-(pyrimidin-2-yl)benzene-1-sulfonamide
Show more names
IVK/12738834-isothiocyanato-N-(2-pyrimidinyl)benzenesulfonamide
Benzenesulfonamide, 4-isothiocyanato-N-2-pyrimidinyl-ALBB-003065BBL017066NSC403393STK439956AKOS003329447NSC-403393ST45074693
Database identifiers
- CAS
64047-46-7- PubChem CID
- 46699
- DTXSID
DTXSID00214125
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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