Basic information
- CAS
138709-30-5- Standard SMILES
CSc1ccc(Br)cc1SC- InChIKey
JIJQBCDBTWLPTA-UHFFFAOYSA-N- Molecular formula
- C8H9BrS2
- Average molar mass
- 249.2 g/mol
- Monoisotopic mass
- 247.93290439
Names & identifiers
- Preferred name
- 4-Bromo-1,2-bis(methylsulfanyl)benzene
- IUPAC
- 4-bromo-1,2-bis(methylsulfanyl)benzene
- English name
- Benzene, 4-bromo-1,2-bis(methylthio)-
- Molecular formula
- C8H9BrS2
- Molecular weight
- 249.19
Names & synonyms
138709-30-54-Bromo-1,2-bis(methylsulfanyl)benzeneDTXSID70566168RefChem:290416DTXCID90516943Benzene, 4-bromo-1,2-bis(methylthio)-(4-bromo-1,2-phenylene)bis(methylsulfane)SCHEMBL3107273JIJQBCDBTWLPTA-UHFFFAOYSA-NMFCD279444714-bromo-1,2-bis-methylsulfanylbenzeneH68699
Database identifiers
- CAS
138709-30-5- PubChem CID
- 14964485
- DTXSID
DTXSID70566168
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 283.5 · 283.5±35.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南通鑫奇胜生物科技有限公司13635551869 13690496888 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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