3-chloro-3-prop-2-enylsulfanylprop-1-ene

C6H9ClS — CID 87318937

IUPAC3-chloro-3-prop-2-enylsulfanylprop-1-ene
SMILESC=CCSC(Cl)C=C
InChIInChI=1S/C6H9ClS/c1-3-5-8-6(7)4-2/h3-4,6H,1-2,5H2
InChIKeyYJKFYPWJEWHKGV-UHFFFAOYSA-N
MW148.66 g/mol
LogP2.66
Rot. Bonds4

About 3-chloro-3-prop-2-enylsulfanylprop-1-ene

3-chloro-3-prop-2-enylsulfanylprop-1-ene (PubChem CID 87318937) has the molecular formula C6H9ClS and a molecular weight of 148.66 g/mol. Its IUPAC name is 3-chloro-3-prop-2-enylsulfanylprop-1-ene.

Molecular Properties

Compound Name3-chloro-3-prop-2-enylsulfanylprop-1-ene
PubChem CID87318937
Molecular FormulaC6H9ClS
Molecular Weight148.66 g/mol
Exact Mass148.01
IUPAC Name3-chloro-3-prop-2-enylsulfanylprop-1-ene
SMILESC=CCSC(Cl)C=C
InChIInChI=1S/C6H9ClS/c1-3-5-8-6(7)4-2/h3-4,6H,1-2,5H2
InChIKeyYJKFYPWJEWHKGV-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.66
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 87944
CID 87944
CID 13046268
CID 13046268
CID 126722717
CID 126722717
CID 44151229
CID 44151229
CID 25021520
CID 25021520
CID 71356509
CID 71356509
CID 129746284
CID 129746284
CID 129747265
CID 129747265
CID 129747376
CID 129747376
CID 129750210
CID 129750210
CID 134986020
CID 134986020
CID 156598313
CID 156598313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-prop-2-enylsulfanylprop-1-ene?
The IUPAC name of 3-chloro-3-prop-2-enylsulfanylprop-1-ene (CID 87318937) is 3-chloro-3-prop-2-enylsulfanylprop-1-ene.
What is the SMILES notation for 3-chloro-3-prop-2-enylsulfanylprop-1-ene?
The canonical SMILES for 3-chloro-3-prop-2-enylsulfanylprop-1-ene is C=CCSC(Cl)C=C.
What is the InChIKey of 3-chloro-3-prop-2-enylsulfanylprop-1-ene?
The InChIKey is YJKFYPWJEWHKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClS/c1-3-5-8-6(7)4-2/h3-4,6H,1-2,5H2.
What are the key properties of 3-chloro-3-prop-2-enylsulfanylprop-1-ene?
3-chloro-3-prop-2-enylsulfanylprop-1-ene has a molecular weight of 148.66 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-prop-2-enylsulfanylprop-1-ene is sourced from PubChem (CID 87318937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).