3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene

C6H8Cl2OS — CID 87891459

IUPAC3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene
SMILESC=CC(Cl)S(=O)C(Cl)C=C
InChIInChI=1S/C6H8Cl2OS/c1-3-5(7)10(9)6(8)4-2/h3-6H,1-2H2
InChIKeyGHRSPZNOIJZCAS-UHFFFAOYSA-N
MW199.10 g/mol
LogP2.24
Rot. Bonds4

About 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene

3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene (PubChem CID 87891459) has the molecular formula C6H8Cl2OS and a molecular weight of 199.10 g/mol. Its IUPAC name is 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene.

Molecular Properties

Compound Name3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene
PubChem CID87891459
Molecular FormulaC6H8Cl2OS
Molecular Weight199.10 g/mol
Exact Mass197.97
IUPAC Name3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene
SMILESC=CC(Cl)S(=O)C(Cl)C=C
InChIInChI=1S/C6H8Cl2OS/c1-3-5(7)10(9)6(8)4-2/h3-6H,1-2H2
InChIKeyGHRSPZNOIJZCAS-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene?
The IUPAC name of 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene (CID 87891459) is 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene.
What is the SMILES notation for 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene?
The canonical SMILES for 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene is C=CC(Cl)S(=O)C(Cl)C=C.
What is the InChIKey of 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene?
The InChIKey is GHRSPZNOIJZCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2OS/c1-3-5(7)10(9)6(8)4-2/h3-6H,1-2H2.
What are the key properties of 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene?
3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene has a molecular weight of 199.10 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene is sourced from PubChem (CID 87891459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).