1-(2-chloroethenylsulfanyl)butane

C6H11ClS — CID 74039995

IUPAC1-(2-chloroethenylsulfanyl)butane
SMILESCCCCSC=CCl
InChIInChI=1S/C6H11ClS/c1-2-3-5-8-6-4-7/h4,6H,2-3,5H2,1H3
InChIKeyVDDBIYWLQGYNES-UHFFFAOYSA-N
MW150.67 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-chloroethenylsulfanyl)butane

1-(2-chloroethenylsulfanyl)butane (PubChem CID 74039995) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is 1-(2-chloroethenylsulfanyl)butane.

Molecular Properties

Compound Name1-(2-chloroethenylsulfanyl)butane
PubChem CID74039995
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name1-(2-chloroethenylsulfanyl)butane
SMILESCCCCSC=CCl
InChIInChI=1S/C6H11ClS/c1-2-3-5-8-6-4-7/h4,6H,2-3,5H2,1H3
InChIKeyVDDBIYWLQGYNES-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-thiapentane
CID 20746380
(z)-1,2-Dichloro-1-(propylthio)ethene
CID 12059860
1-(3-Chloropropa-1,2-dienylsulfanyl)butane
CID 86069122
2-(2-Chloroethenylsulfanyl)propane
CID 133064309
2-[(E)-1,2-dichloroethenyl]sulfanylpropane
CID 134875930
1-[(E)-1,2-dichloroethenyl]sulfanylbutane
CID 134876098
1-[(E)-1-chloroprop-1-en-2-yl]sulfanylbutane
CID 134986020
1-(2-Chloro-1-fluoroethenyl)sulfanylbutane
CID 71388066
E-1-Chloro-2-methyl-3-propylthio-propene
CID 5352287
1-Chloro-1-ethenylsulfanylethane
CID 13399457
1-Chloro-1-ethenylsulfanylethane;ethenylsulfanylethene
CID 88746563
2-(1-Chloroethenylsulfanyl)butane
CID 88989338

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethenylsulfanyl)butane?
The IUPAC name of 1-(2-chloroethenylsulfanyl)butane (CID 74039995) is 1-(2-chloroethenylsulfanyl)butane.
What is the SMILES notation for 1-(2-chloroethenylsulfanyl)butane?
The canonical SMILES for 1-(2-chloroethenylsulfanyl)butane is CCCCSC=CCl.
What is the InChIKey of 1-(2-chloroethenylsulfanyl)butane?
The InChIKey is VDDBIYWLQGYNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS/c1-2-3-5-8-6-4-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-(2-chloroethenylsulfanyl)butane?
1-(2-chloroethenylsulfanyl)butane has a molecular weight of 150.67 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethenylsulfanyl)butane is sourced from PubChem (CID 74039995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).