1-[(3-Chloropropyl)thio]-4-fluorobenzene

HCID 271997

Notes Reactions

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Basic information

CAS: 5322-56-5
Standard SMILES: Fc1ccc(SCCCCl)cc1
InChIKey: QPOBUEZOYAQIMV-UHFFFAOYSA-N
Molecular formula: C9H10ClFS
Average molar mass: 204.69 g/mol
Monoisotopic mass: 204.0175773

Names & identifiers

Preferred name: 1-[(3-Chloropropyl)thio]-4-fluorobenzene
IUPAC: 1-(3-chloropropylsulfanyl)-4-fluorobenzene

Names & synonyms

(3-CHLOROPROPYL)(4-FLUOROPHENYL)SULFANE5322-56-51-[(3-chloropropyl)thio]-4-fluorobenzeneNSC116028SCHEMBL5636661DTXSID20297450QPOBUEZOYAQIMV-UHFFFAOYSA-N3-chloropropyl 4-fluorophenyl sulfideAKOS000139579NSC-116028G75715F555892

Show more names

1-[(3-CHLOROPROPYL)SULFANYL]-4-FLUOROBENZENE

Database identifiers

CAS: 5322-56-5
PubChem CID: 271997
DTXSID: DTXSID20297450

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 113

Related reactions

9 records

New reaction record

HRID 173492As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 807865As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1149268As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1832259As reactantuspto-grants-2006_06

HRID 1832743As productuspto-grants-2006_06

HRID 1832745As reactantuspto-grants-2006_06

HRID 2087252As reactantuspto-grants-2004_04

HRID 2087736As productuspto-grants-2004_04

Compound notes

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