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

C6H8Cl2S — CID 71356509

IUPAC1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene
SMILESClC=CCSCC=CCl
InChIInChI=1S/C6H8Cl2S/c7-3-1-5-9-6-2-4-8/h1-4H,5-6H2
InChIKeyISCSOBSAVPCZLL-UHFFFAOYSA-N
MW183.10 g/mol
LogP3.22
Rot. Bonds4

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

1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene (PubChem CID 71356509) has the molecular formula C6H8Cl2S and a molecular weight of 183.10 g/mol. Its IUPAC name is 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene
PubChem CID71356509
Molecular FormulaC6H8Cl2S
Molecular Weight183.10 g/mol
Exact Mass181.97
IUPAC Name1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene
SMILESClC=CCSCC=CCl
InChIInChI=1S/C6H8Cl2S/c7-3-1-5-9-6-2-4-8/h1-4H,5-6H2
InChIKeyISCSOBSAVPCZLL-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene?
The IUPAC name of 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene (CID 71356509) is 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene.
What is the SMILES notation for 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene?
The canonical SMILES for 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene is ClC=CCSCC=CCl.
What is the InChIKey of 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene?
The InChIKey is ISCSOBSAVPCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2S/c7-3-1-5-9-6-2-4-8/h1-4H,5-6H2.
What are the key properties of 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene?
1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene has a molecular weight of 183.10 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloroprop-2-enylsulfanyl)prop-1-ene is sourced from PubChem (CID 71356509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).