Basic information
- CAS
620103-87-9- Standard SMILES
O=S(=O)(Nc1cccc2cccnc12)c1ccc(Br)s1- InChIKey
BWZPDZRPJIBWAU-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2O2S2
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 367.92888
Names & identifiers
- Preferred name
- 5-bromo-N-(quinolin-8-yl)thiophene-2-sulfonamide
- IUPAC
- 5-bromo-N-quinolin-8-ylthiophene-2-sulfonamide
- English name
- 5-bromo-N-quinolin-8-ylthiophene-2-sulfonamide
- Molecular formula
- C13H9BrN2O2S2
- Molecular weight
- 369.26
Names & synonyms
620103-87-95-bromo-N-(quinolin-8-yl)thiophene-2-sulfonamide5-bromo-N-quinolin-8-ylthiophene-2-sulfonamideMFCD062906882-Thiophenesulfonamide, 5-bromo-N-8-quinolinyl-CHEMBL401504U22NCR3PHXSCHEMBL11995751ALBB-010070BBL018066BDBM50372503EBC-00590
Show more names
ZINC028888835-bromo-N-(8-quinolyl)thiophene-2-sulfonamide5-bromo-N-(8-quinolyl)-2-thiophenesulfonamide
STK506180AKOS001440266SB73091NCGC00161700-01PD119176SY087047VS-06665CS-0155802
Database identifiers
- CAS
620103-87-9- PubChem CID
- 2240993
- ChEMBL
CHEMBL401504- UNII
- U22NCR3PHX
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 536.4 · 536.4±60.0 °C(Predicted)
- Density
- 1.745 · 1.745±0.06 g/cm3(Predicted)
- pka
- 6.96 · 6.96±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [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]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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