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

C8H12Cl2S — CID 134920794

IUPAC(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene
SMILESC/C=C(/C)CS/C(Cl)=C(\C)Cl
InChIInChI=1S/C8H12Cl2S/c1-4-6(2)5-11-8(10)7(3)9/h4H,5H2,1-3H3/b6-4-,8-7+
InChIKeyWWDNSSQNBXAHOG-IQTBQJLQSA-N
MW211.16 g/mol
LogP4.35
Rot. Bonds3

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

(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene (PubChem CID 134920794) has the molecular formula C8H12Cl2S and a molecular weight of 211.16 g/mol. Its IUPAC name is (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene.

Molecular Properties

Compound Name(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene
PubChem CID134920794
Molecular FormulaC8H12Cl2S
Molecular Weight211.16 g/mol
Exact Mass210.00
IUPAC Name(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene
SMILESC/C=C(/C)CS/C(Cl)=C(\C)Cl
InChIInChI=1S/C8H12Cl2S/c1-4-6(2)5-11-8(10)7(3)9/h4H,5H2,1-3H3/b6-4-,8-7+
InChIKeyWWDNSSQNBXAHOG-IQTBQJLQSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 54.35
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

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
(Z)-2-methyl-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene
CID 134920976
3-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylprop-1-ene
CID 134988448
2,3-Dimethyl-1-(1,2,2-trichloroethenylsulfanyl)but-2-ene
CID 134988967
(E)-4-chloro-2-methyl-1-methylsulfanylbut-2-ene
CID 55301129
1-(3-Chloropropylsulfanyl)-3-methylbut-2-ene
CID 107902589
1-(2-Chloroprop-2-enylsulfanyl)-3-methylbut-2-ene
CID 126993161
1-[(E)-3-chloro-2-methylprop-2-enyl]sulfanyl-3-methylbut-2-ene
CID 133626116
1-[(Z)-2,3-dichloroprop-2-enyl]sulfanyl-3-methylbut-2-ene
CID 133626117

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene?
The IUPAC name of (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene (CID 134920794) is (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene.
What is the SMILES notation for (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene?
The canonical SMILES for (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene is C/C=C(/C)CS/C(Cl)=C(\C)Cl.
What is the InChIKey of (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene?
The InChIKey is WWDNSSQNBXAHOG-IQTBQJLQSA-N. The full InChI is InChI=1S/C8H12Cl2S/c1-4-6(2)5-11-8(10)7(3)9/h4H,5H2,1-3H3/b6-4-,8-7+.
What are the key properties of (Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene?
(Z)-1-[(Z)-1,2-dichloroprop-1-enyl]sulfanyl-2-methylbut-2-ene has a molecular weight of 211.16 g/mol, XLogP of 4.35, 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]sulfanyl-2-methylbut-2-ene is sourced from PubChem (CID 134920794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).