(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene

C6H8Cl2S — CID 134988514

IUPAC(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene
SMILESC=CCS/C(Cl)=C(\C)Cl
InChIInChI=1S/C6H8Cl2S/c1-3-4-9-6(8)5(2)7/h3H,1,4H2,2H3/b6-5+
InChIKeySJZZSBVJHCDXQB-AATRIKPKSA-N
MW183.10 g/mol
LogP3.57
Rot. Bonds3

About (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene

(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene (PubChem CID 134988514) has the molecular formula C6H8Cl2S and a molecular weight of 183.10 g/mol. Its IUPAC name is (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene.

Molecular Properties

Compound Name(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene
PubChem CID134988514
Molecular FormulaC6H8Cl2S
Molecular Weight183.10 g/mol
Exact Mass181.97
IUPAC Name(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene
SMILESC=CCS/C(Cl)=C(\C)Cl
InChIInChI=1S/C6H8Cl2S/c1-3-4-9-6(8)5(2)7/h3H,1,4H2,2H3/b6-5+
InChIKeySJZZSBVJHCDXQB-AATRIKPKSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-chloro-1-propene-3-yl)sulfide
CID 13635963
Chloropropenyl sulfide
CID 126722717
3-(1,2,2-Trichloroethenylsulfanyl)prop-1-ene
CID 12687913
1-Chloro-3-[(3-chloroprop-2-EN-1-YL)sulfanyl]prop-1-ene
CID 71356509
3-Chloro-1-[(3-chlorobut-2-en-1-yl)sulfanyl]but-2-ene
CID 71441468
2-Chloro-3-(prop-1-en-3-ylsulfanyl)prop-1-ene
CID 129746284
2-Chloro-3-(1-chloroprop-1-en-3-ylsulfanyl)-prop-1-ene
CID 129747376
(1E)-1-butylsulfanyl-1-chlorobuta-1,3-diene
CID 134920888
(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene
CID 134988828
(Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene
CID 134988917
Bis(2-chloropropenyl) sulfide
CID 154734175
2-Chloro-3-(ethylsulfanyl)prop-1-ene
CID 287927

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene?
The IUPAC name of (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene (CID 134988514) is (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene.
What is the SMILES notation for (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene?
The canonical SMILES for (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene is C=CCS/C(Cl)=C(\C)Cl.
What is the InChIKey of (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene?
The InChIKey is SJZZSBVJHCDXQB-AATRIKPKSA-N. The full InChI is InChI=1S/C6H8Cl2S/c1-3-4-9-6(8)5(2)7/h3H,1,4H2,2H3/b6-5+.
What are the key properties of (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene?
(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene has a molecular weight of 183.10 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene is sourced from PubChem (CID 134988514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).