1-cyclohexylsulfanylpropane-2-thiol

C9H18S2 — CID 57273341

IUPAC1-cyclohexylsulfanylpropane-2-thiol
SMILESCC(S)CSC1CCCCC1
InChIInChI=1S/C9H18S2/c1-8(10)7-11-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3
InChIKeyDNENDFMKLHVMQH-UHFFFAOYSA-N
MW190.38 g/mol
LogP3.37
Rot. Bonds3

About 1-cyclohexylsulfanylpropane-2-thiol

1-cyclohexylsulfanylpropane-2-thiol (PubChem CID 57273341) has the molecular formula C9H18S2 and a molecular weight of 190.38 g/mol. Its IUPAC name is 1-cyclohexylsulfanylpropane-2-thiol.

Molecular Properties

Compound Name1-cyclohexylsulfanylpropane-2-thiol
PubChem CID57273341
Molecular FormulaC9H18S2
Molecular Weight190.38 g/mol
Exact Mass190.08
IUPAC Name1-cyclohexylsulfanylpropane-2-thiol
SMILESCC(S)CSC1CCCCC1
InChIInChI=1S/C9H18S2/c1-8(10)7-11-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3
InChIKeyDNENDFMKLHVMQH-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexylsulfanylpropan-2-ylhydrazine
CID 105227877
2,2-dimethoxyethylsulfanylcyclohexane
CID 66221293
1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine
CID 79574880
ethylsulfanylcycloheptane
CID 67666697
2-cyclohexylsulfanyl-1-cyclopropylethanol
CID 65139988
1-(1-cyclohexylsulfanylpropan-2-yl)piperazine
CID 117035734
1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine
CID 64632835
S-cyclohexyl 3-sulfanylbutanethioate
CID 87474709
ethylsulfanylcyclohexane;hydrate
CID 154657680
1-amino-3-cyclohexylsulfanylpropan-2-ol
CID 60885564
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
CID 65139959
1-cyclopentylsulfanyl-3-methylhexan-2-amine
CID 107896535

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanylpropane-2-thiol?
The IUPAC name of 1-cyclohexylsulfanylpropane-2-thiol (CID 57273341) is 1-cyclohexylsulfanylpropane-2-thiol.
What is the SMILES notation for 1-cyclohexylsulfanylpropane-2-thiol?
The canonical SMILES for 1-cyclohexylsulfanylpropane-2-thiol is CC(S)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanylpropane-2-thiol?
The InChIKey is DNENDFMKLHVMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S2/c1-8(10)7-11-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-cyclohexylsulfanylpropane-2-thiol?
1-cyclohexylsulfanylpropane-2-thiol has a molecular weight of 190.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanylpropane-2-thiol is sourced from PubChem (CID 57273341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).