1,1-dichloro-3-methylsulfanylprop-1-ene

C4H6Cl2S — CID 101441039

IUPAC1,1-dichloro-3-methylsulfanylprop-1-ene
SMILESCSCC=C(Cl)Cl
InChIInChI=1S/C4H6Cl2S/c1-7-3-2-4(5)6/h2H,3H2,1H3
InChIKeyUCVVGCSQXVJLDL-UHFFFAOYSA-N
MW157.07 g/mol
LogP2.67
Rot. Bonds2

About 1,1-dichloro-3-methylsulfanylprop-1-ene

1,1-dichloro-3-methylsulfanylprop-1-ene (PubChem CID 101441039) has the molecular formula C4H6Cl2S and a molecular weight of 157.07 g/mol. Its IUPAC name is 1,1-dichloro-3-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name1,1-dichloro-3-methylsulfanylprop-1-ene
PubChem CID101441039
Molecular FormulaC4H6Cl2S
Molecular Weight157.07 g/mol
Exact Mass155.96
IUPAC Name1,1-dichloro-3-methylsulfanylprop-1-ene
SMILESCSCC=C(Cl)Cl
InChIInChI=1S/C4H6Cl2S/c1-7-3-2-4(5)6/h2H,3H2,1H3
InChIKeyUCVVGCSQXVJLDL-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.07
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-3-methylsulfanylprop-1-ene?
The IUPAC name of 1,1-dichloro-3-methylsulfanylprop-1-ene (CID 101441039) is 1,1-dichloro-3-methylsulfanylprop-1-ene.
What is the SMILES notation for 1,1-dichloro-3-methylsulfanylprop-1-ene?
The canonical SMILES for 1,1-dichloro-3-methylsulfanylprop-1-ene is CSCC=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3-methylsulfanylprop-1-ene?
The InChIKey is UCVVGCSQXVJLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2S/c1-7-3-2-4(5)6/h2H,3H2,1H3.
What are the key properties of 1,1-dichloro-3-methylsulfanylprop-1-ene?
1,1-dichloro-3-methylsulfanylprop-1-ene has a molecular weight of 157.07 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-methylsulfanylprop-1-ene is sourced from PubChem (CID 101441039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).