(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene

C7H10Cl2S — CID 134988828

IUPAC(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene
SMILESC/C=C\CS/C(Cl)=C(\C)Cl
InChIInChI=1S/C7H10Cl2S/c1-3-4-5-10-7(9)6(2)8/h3-4H,5H2,1-2H3/b4-3-,7-6+
InChIKeyNVIKWSSBPZWFQL-WWVFNRLHSA-N
MW197.13 g/mol
LogP3.96
Rot. Bonds3

About (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene

(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene (PubChem CID 134988828) has the molecular formula C7H10Cl2S and a molecular weight of 197.13 g/mol. Its IUPAC name is (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene.

Molecular Properties

Compound Name(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene
PubChem CID134988828
Molecular FormulaC7H10Cl2S
Molecular Weight197.13 g/mol
Exact Mass195.99
IUPAC Name(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene
SMILESC/C=C\CS/C(Cl)=C(\C)Cl
InChIInChI=1S/C7H10Cl2S/c1-3-4-5-10-7(9)6(2)8/h3-4H,5H2,1-2H3/b4-3-,7-6+
InChIKeyNVIKWSSBPZWFQL-WWVFNRLHSA-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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Related Compounds

trans-1-(Methylthio)-2-butene
CID 5364390
Methyl crotyl sulfide
CID 138110
3-(1,2,2-Trichloroethenylsulfanyl)prop-1-ene
CID 12687913
3-Methyl-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene
CID 13066013
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
(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene
CID 134988514
(Z)-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene
CID 134988917
Bis(2-chloropropenyl) sulfide
CID 154734175
Sulfide, 2-butenyl methyl, cis, (Z)-
CID 5463207
Chloro-dimethyl-prop-2-enyl-lambda4-sulfane
CID 13555689
Dimethyl(prop-2-enyl)sulfanium chloride
CID 19842909

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene?
The IUPAC name of (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene (CID 134988828) is (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene.
What is the SMILES notation for (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene?
The canonical SMILES for (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene is C/C=C\CS/C(Cl)=C(\C)Cl.
What is the InChIKey of (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene?
The InChIKey is NVIKWSSBPZWFQL-WWVFNRLHSA-N. The full InChI is InChI=1S/C7H10Cl2S/c1-3-4-5-10-7(9)6(2)8/h3-4H,5H2,1-2H3/b4-3-,7-6+.
What are the key properties of (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene?
(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-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 (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanylbut-2-ene is sourced from PubChem (CID 134988828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).