3-Benzylsulfonylpropyl chloride

HCID 282170

Notes Reactions

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Basic information

CAS: 90875-94-8
Standard SMILES: O=S(=O)(CCCCl)Cc1ccccc1
InChIKey: JTUKZELJXQSUNH-UHFFFAOYSA-N
Molecular formula: C10H13ClO2S
Average molar mass: 232.73 g/mol
Monoisotopic mass: 232.0324785

Names & identifiers

Preferred name: 3-Benzylsulfonylpropyl chloride
IUPAC: 3-chloropropylsulfonylmethylbenzene

Names & synonyms

90875-94-83-benzylsulfonylpropyl chlorideNSC135349benzyl 3-chloropropyl sulfoneSCHEMBL7031083DTXSID90920102JTUKZELJXQSUNH-UHFFFAOYSA-NAKOS009479707NSC-135349[(3-Chloropropane-1-sulfonyl)methyl]benzene

Database identifiers

CAS: 90875-94-8
PubChem CID: 282170
DTXSID: DTXSID90920102
Nikkaji: J1.889.903E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 237

Related reactions

2 records

New reaction record

HRID 344549As reactantuspto-grants-1999_01

HRID 1568632As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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