3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene

C7H10Cl2S — CID 134988448

IUPAC3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene
SMILESC=C(C)CS/C(Cl)=C(\C)Cl
InChIInChI=1S/C7H10Cl2S/c1-5(2)4-10-7(9)6(3)8/h1,4H2,2-3H3/b7-6+
InChIKeyFXNLRFDAYKMRIC-VOTSOKGWSA-N
MW197.13 g/mol
LogP3.96
Rot. Bonds3

About 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene

3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene (PubChem CID 134988448) has the molecular formula C7H10Cl2S and a molecular weight of 197.13 g/mol. Its IUPAC name is 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene.

Molecular Properties

Compound Name3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene
PubChem CID134988448
Molecular FormulaC7H10Cl2S
Molecular Weight197.13 g/mol
Exact Mass195.99
IUPAC Name3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene
SMILESC=C(C)CS/C(Cl)=C(\C)Cl
InChIInChI=1S/C7H10Cl2S/c1-5(2)4-10-7(9)6(3)8/h1,4H2,2-3H3/b7-6+
InChIKeyFXNLRFDAYKMRIC-VOTSOKGWSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene?
The IUPAC name of 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene (CID 134988448) is 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene.
What is the SMILES notation for 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene?
The canonical SMILES for 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene is C=C(C)CS/C(Cl)=C(\C)Cl.
What is the InChIKey of 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene?
The InChIKey is FXNLRFDAYKMRIC-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H10Cl2S/c1-5(2)4-10-7(9)6(3)8/h1,4H2,2-3H3/b7-6+.
What are the key properties of 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene?
3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene has a molecular weight of 197.13 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene is sourced from PubChem (CID 134988448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).