1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane

C10H17ClS — CID 131233090

IUPAC1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane
SMILESCC1CCCC(SC/C=C/Cl)C1
InChIInChI=1S/C10H17ClS/c1-9-4-2-5-10(8-9)12-7-3-6-11/h3,6,9-10H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyASNDENQUULXNPP-ZZXKWVIFSA-N
MW204.77 g/mol
LogP4.05
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane

1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane (PubChem CID 131233090) has the molecular formula C10H17ClS and a molecular weight of 204.77 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane
PubChem CID131233090
Molecular FormulaC10H17ClS
Molecular Weight204.77 g/mol
Exact Mass204.07
IUPAC Name1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane
SMILESCC1CCCC(SC/C=C/Cl)C1
InChIInChI=1S/C10H17ClS/c1-9-4-2-5-10(8-9)12-7-3-6-11/h3,6,9-10H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyASNDENQUULXNPP-ZZXKWVIFSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-methylcyclohexyl)sulfanylethyl]prop-2-en-1-amine
CID 62720497
1-methyl-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 130891059
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006
1-(3,3-diethoxypropylsulfanyl)-3-methylcyclohexane
CID 63629815
N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide
CID 76948517
3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
CID 79683415
1-(3-bromo-2,2-dimethylpropyl)sulfanyl-3-methylcyclohexane
CID 65000897
1-[[1-(bromomethyl)cyclopropyl]methylsulfanyl]-3-methylcyclohexane
CID 65014003
2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile
CID 62722458

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane (CID 131233090) is 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane is CC1CCCC(SC/C=C/Cl)C1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane?
The InChIKey is ASNDENQUULXNPP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H17ClS/c1-9-4-2-5-10(8-9)12-7-3-6-11/h3,6,9-10H,2,4-5,7-8H2,1H3/b6-3+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane?
1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane has a molecular weight of 204.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane is sourced from PubChem (CID 131233090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).