[(Z)-3-chloroprop-2-enyl]sulfanylbenzene

C9H9ClS — CID 6092909

IUPAC[(Z)-3-chloroprop-2-enyl]sulfanylbenzene
SMILESCl/C=C\CSc1ccccc1
InChIInChI=1S/C9H9ClS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-7H,8H2/b7-4-
InChIKeyPZAMCTNORLOJBE-DAXSKMNVSA-N
MW184.69 g/mol
LogP3.53
Rot. Bonds3

About [(Z)-3-chloroprop-2-enyl]sulfanylbenzene

[(Z)-3-chloroprop-2-enyl]sulfanylbenzene (PubChem CID 6092909) has the molecular formula C9H9ClS and a molecular weight of 184.69 g/mol. Its IUPAC name is [(Z)-3-chloroprop-2-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-3-chloroprop-2-enyl]sulfanylbenzene
PubChem CID6092909
Molecular FormulaC9H9ClS
Molecular Weight184.69 g/mol
Exact Mass184.01
IUPAC Name[(Z)-3-chloroprop-2-enyl]sulfanylbenzene
SMILESCl/C=C\CSc1ccccc1
InChIInChI=1S/C9H9ClS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-7H,8H2/b7-4-
InChIKeyPZAMCTNORLOJBE-DAXSKMNVSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloroprop-2-enyl]sulfanylbenzene?
The IUPAC name of [(Z)-3-chloroprop-2-enyl]sulfanylbenzene (CID 6092909) is [(Z)-3-chloroprop-2-enyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-3-chloroprop-2-enyl]sulfanylbenzene?
The canonical SMILES for [(Z)-3-chloroprop-2-enyl]sulfanylbenzene is Cl/C=C\CSc1ccccc1.
What is the InChIKey of [(Z)-3-chloroprop-2-enyl]sulfanylbenzene?
The InChIKey is PZAMCTNORLOJBE-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H9ClS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-7H,8H2/b7-4-.
What are the key properties of [(Z)-3-chloroprop-2-enyl]sulfanylbenzene?
[(Z)-3-chloroprop-2-enyl]sulfanylbenzene has a molecular weight of 184.69 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloroprop-2-enyl]sulfanylbenzene is sourced from PubChem (CID 6092909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).