Basic information
- CAS
98027-62-4- Standard SMILES
O=[N+]([O-])c1sccc1CO- InChIKey
VMYVETFPLSSTMF-UHFFFAOYSA-N- Molecular formula
- C5H5NO3S
- Average molar mass
- 159.17 g/mol
Names & identifiers
- Preferred name
- 2-Nitro-3-thenyl alcohol
- IUPAC
- (2-nitrothiophen-3-yl)methanol
- English name
- 3-Thiophenemethanol, 2-nitro- (6CI)
- Molecular formula
- C5H5NO3S
- Molecular weight
- 159.16
Names & synonyms
2-nitro-3-thenyl alcoholSCHEMBL51147343-THIOPHENEMETHANOL, 2-NITRO-98027-62-4DB-2833193-hydroxymethyl-2-nitro-thiophene3-Thiophenemethanol, 2-nitro- (6CI)
Database identifiers
- CAS
98027-62-4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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