Basic information
- CAS
19094-32-7- Standard SMILES
CCS(=O)(=O)c1nc2ccc([N+](=O)[O-])cc2s1- InChIKey
HEWSLJHLRNJJKR-UHFFFAOYSA-N- Molecular formula
- C9H8N2O4S2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 271.99254909
Names & identifiers
- Preferred name
- 2-(Ethylsulphonyl)-6-nitrobenzothiazole
- IUPAC
- 2-ethylsulfonyl-6-nitro-1,3-benzothiazole
- English name
- 2-(ethylsulphonyl)-6-nitrobenzothiazole
- Molecular formula
- C9H8N2O4S2
- Molecular weight
- 272.3
Names & synonyms
2-(Ethylsulphonyl)-6-nitrobenzothiazole19094-32-72-ethylsulfonyl-6-nitro-1,3-benzothiazole2-(ethylsulfonyl)-6-nitrobenzo[d]thiazolebenzothiazole, 2-(ethylsulfonyl)-6-nitro-EINECS 242-813-52-(Ethylsulfonyl)-6-nitrobenzothiazoleCDS1_0039897DEJ4LN5LJCBMicro_017493DivK1c_0050292-(ETHANESULFONYL)-6-NITRO-1,3-BENZOTHIAZOLE
Show more names
DTXSID70172602HEWSLJHLRNJJKR-UHFFFAOYSA-NCCG-13469AKOS022109130BIM-0017299.P001NS00026234
Database identifiers
- CAS
19094-32-7- PubChem CID
- 87929
- DTXSID
DTXSID70172602- UNII
- 7DEJ4LN5LJ
- EC Number
- 242-813-5
- Nikkaji
- J224.856E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Boiling point
- 462.9 · 462.9±37.0 °C(Predicted)
- Density
- 1.543 · 1.543±0.06 g/cm3(Predicted)
- pka
- -4.93 · -4.93±0.10(Predicted)
- FDA UNII
- 7 DEJ4LN5LJ · 7DEJ4LN5LJ
Chemistry & industry
Suppliers1 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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