Basic information
- CAS
2137-92-0- Standard SMILES
N#CSc1ccc([N+](=O)[O-])cc1- InChIKey
JDZYWJUTZURMKO-UHFFFAOYSA-N- Molecular formula
- C7H4N2O2S
- Average molar mass
- 180.19 g/mol
- Monoisotopic mass
- 179.99934855
Names & identifiers
- Preferred name
- Thiocyanic acid, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) thiocyanate
- English name
- Thiocyanic acid 4-nitrophenyl ester
- Molecular formula
- C7H4N2O2S
- Molecular weight
- 180.18
Names & synonyms
2137-92-0Thiocyanic acid, 4-nitrophenyl ester4-Nitrophenylthiocyanateo-Nitro(thiocyano)benzeneBRN 1910625DTXSID301756344-06-00-01709 (Beilstein Handbook Reference)RefChem:189483DTXCID10981251-nitro-4-thiocyanatobenzeneTHIOCYANIC ACID 4-NITROPHENYL ESTER[(4-NITROPHENYL)SULFANYL]FORMONITRILE
Show more names
(4-nitrophenyl) thiocyanate4-nitrophenyl thiocyanate4-Nitro-phenyl-thiocyanatSCHEMBL7291266SCHEMBL7713692HS-6702
Database identifiers
- CAS
2137-92-0- PubChem CID
- 200486
- DTXSID
DTXSID30175634- Nikkaji
- J48.852F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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