Basic information
- CAS
17402-80-1- Standard SMILES
O=[N+]([O-])c1csc2ccccc12- InChIKey
PIZRWAZBFNMVMW-UHFFFAOYSA-N- Molecular formula
- C8H5NO2S
- Average molar mass
- 179.2 g/mol
- Monoisotopic mass
- 179.00409958
Names & identifiers
- Preferred name
- 3-Nitrobenzo[b]thiophene
- IUPAC
- 3-nitro-1-benzothiophene
- English name
- 3-nitrobenzothiophene
- Molecular formula
- C8H5NO2S
- Molecular weight
- 179.2
Names & synonyms
3-Nitrobenzo[b]thiophene3-nitro-1-benzothiophene3-Nitrobenzo(b)thiophene9NY9BH3TLCNSC-3747NSC-48511DTXSID3075125RefChem:95027DTXCID3035553Benzo(b)thiophene, 3-nitro-(6CI,7CI,8CI,9CI)17402-80-13-Nitrobenzothiophene
Show more names
3-nitrobenzothiophene ISO 9001：2015 REACH
Benzo[b]thiophene, 3-nitro-3-nitro-benzo[b]thiopheneBenzo(b)thiophene, 3-nitro-MLS0026377123-NitrothianaphtheneThianaphthene, 3-nitro-NSC 3747BRN 0135966
Database identifiers
- CAS
17402-80-1- PubChem CID
- 28520
- DTXSID
DTXSID3075125- ChEMBL
CHEMBL2138917- UNII
- 9NY9BH3TLC
- Nikkaji
- J41.938I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 79 °C · 79 °C
- Boiling point
- 324.6 · 324.6±15.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 9 NY9BH3TLC · 9NY9BH3TLC
- EPA Substance Registry System
- 3 · 3-Nitrobenzo[b]thiophene (17402-80-1)
Chemistry & industry
Suppliers13 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Richest Group Ltd18017061086 · [email protected]
上海珅振医药化工有限公司13564376153 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…