1-chloro-2-prop-1-enylsulfanylpropane

C6H11ClS — CID 123726969

IUPAC1-chloro-2-prop-1-enylsulfanylpropane
SMILESCC=CSC(C)CCl
InChIInChI=1S/C6H11ClS/c1-3-4-8-6(2)5-7/h3-4,6H,5H2,1-2H3
InChIKeySXQZZQJYKWOBSL-UHFFFAOYSA-N
MW150.67 g/mol
LogP2.88
Rot. Bonds3

About 1-chloro-2-prop-1-enylsulfanylpropane

1-chloro-2-prop-1-enylsulfanylpropane (PubChem CID 123726969) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is 1-chloro-2-prop-1-enylsulfanylpropane.

Molecular Properties

Compound Name1-chloro-2-prop-1-enylsulfanylpropane
PubChem CID123726969
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name1-chloro-2-prop-1-enylsulfanylpropane
SMILESCC=CSC(C)CCl
InChIInChI=1S/C6H11ClS/c1-3-4-8-6(2)5-7/h3-4,6H,5H2,1-2H3
InChIKeySXQZZQJYKWOBSL-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Sulfide, allyl 2-chloroethyl
CID 87944
Chloropropenyl sulfide
CID 126722717
1-Chloro-3-[(3-chloroprop-2-EN-1-YL)sulfanyl]prop-1-ene
CID 71356509
2-Chloro-3-(1-chloroprop-1-en-3-ylsulfanyl)-prop-1-ene
CID 129747376
2-(2-Chloroethenylsulfanyl)propane
CID 133064309
(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene
CID 134988514
(E)-3-chloro-1-prop-2-enylsulfanylprop-1-ene
CID 13509608
2-[(E)-3-chloroprop-2-enyl]sulfanyl-2-methylpropane
CID 133672568
(1E)-1-chloro-3-methylsulfanylbuta-1,3-diene
CID 13497797
(E)-1-chloro-1-methylsulfanylbut-2-ene
CID 20449529
4-Chloro-1-(methylsulfanyl)but-1-ene
CID 71424155
1-Chloro-3-methylsulfanylprop-1-ene
CID 75790705

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-prop-1-enylsulfanylpropane?
The IUPAC name of 1-chloro-2-prop-1-enylsulfanylpropane (CID 123726969) is 1-chloro-2-prop-1-enylsulfanylpropane.
What is the SMILES notation for 1-chloro-2-prop-1-enylsulfanylpropane?
The canonical SMILES for 1-chloro-2-prop-1-enylsulfanylpropane is CC=CSC(C)CCl.
What is the InChIKey of 1-chloro-2-prop-1-enylsulfanylpropane?
The InChIKey is SXQZZQJYKWOBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS/c1-3-4-8-6(2)5-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-chloro-2-prop-1-enylsulfanylpropane?
1-chloro-2-prop-1-enylsulfanylpropane has a molecular weight of 150.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-prop-1-enylsulfanylpropane is sourced from PubChem (CID 123726969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).