1-Bromo-2-(cyclopropylsulfanyl)benzene

HCID 59570916

Notes Reactions

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Basic information

CAS: 1174229-14-1
Standard SMILES: Brc1ccccc1SC1CC1
InChIKey: RVVIRBMUXAQBRD-UHFFFAOYSA-N
Molecular formula: C9H9BrS
Average molar mass: 229.14 g/mol
Monoisotopic mass: 227.96083

Names & identifiers

Preferred name: 1-Bromo-2-(cyclopropylsulfanyl)benzene
IUPAC: 1-bromo-2-cyclopropylsulfanylbenzene

Names & synonyms

1-bromo-2-(cyclopropylsulfanyl)benzene1174229-14-1RefChem:430230822-065-11-bromo-2-cyclopropylsulfanylbenzeneSCHEMBL3509697RVVIRBMUXAQBRD-UHFFFAOYSA-NZWB22914AT20841DA-47592(2-BROMOPHENYL)(CYCLOPROPYL)SULFANEEN300-1706978

Database identifiers

CAS: 1174229-14-1
PubChem CID: 59570916
EC Number: 822-065-1
Nikkaji: J2.867.332I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Related reactions

4 records

New reaction record

HRID 91271As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1211207As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2192886As productuspto-grants-2012_12

HRID 2192887As reactantuspto-grants-2012_12

Compound notes

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