hydroxysulfanylcyclohexane;hydrochloride

C6H13ClOS — CID 70408617

IUPAChydroxysulfanylcyclohexane;hydrochloride
SMILESCl.OSC1CCCCC1
InChIInChI=1S/C6H12OS.ClH/c7-8-6-4-2-1-3-5-6;/h6-7H,1-5H2;1H
InChIKeyJKZGWLLVBZGMEM-UHFFFAOYSA-N
MW168.69 g/mol
LogP2.95
Rot. Bonds1

About hydroxysulfanylcyclohexane;hydrochloride

hydroxysulfanylcyclohexane;hydrochloride (PubChem CID 70408617) has the molecular formula C6H13ClOS and a molecular weight of 168.69 g/mol. Its IUPAC name is hydroxysulfanylcyclohexane;hydrochloride.

Molecular Properties

Compound Namehydroxysulfanylcyclohexane;hydrochloride
PubChem CID70408617
Molecular FormulaC6H13ClOS
Molecular Weight168.69 g/mol
Exact Mass168.04
IUPAC Namehydroxysulfanylcyclohexane;hydrochloride
SMILESCl.OSC1CCCCC1
InChIInChI=1S/C6H12OS.ClH/c7-8-6-4-2-1-3-5-6;/h6-7H,1-5H2;1H
InChIKeyJKZGWLLVBZGMEM-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
CID 76563943
disulfanylcyclododecane
CID 87475322
cyclohexyl thiohypochlorite
CID 174496435
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
(4-hydroxysulfanylcyclohexyl)methanediol
CID 155130646
cyclohexylsulfanylformic acid
CID 57292109
cyclohexylsulfanylphosphonic acid
CID 19374027
hydroperoxysulfanylcyclopentane
CID 163690413
methanamine;methylsulfanylcyclohexane
CID 143239211
2-cyclohexylsulfanyl-2-oxoacetic acid
CID 118565596
CID 173454571
CID 173454571
tert-butylsulfanylcycloundecane
CID 123259854

Frequently Asked Questions

What is the IUPAC name of hydroxysulfanylcyclohexane;hydrochloride?
The IUPAC name of hydroxysulfanylcyclohexane;hydrochloride (CID 70408617) is hydroxysulfanylcyclohexane;hydrochloride.
What is the SMILES notation for hydroxysulfanylcyclohexane;hydrochloride?
The canonical SMILES for hydroxysulfanylcyclohexane;hydrochloride is Cl.OSC1CCCCC1.
What is the InChIKey of hydroxysulfanylcyclohexane;hydrochloride?
The InChIKey is JKZGWLLVBZGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS.ClH/c7-8-6-4-2-1-3-5-6;/h6-7H,1-5H2;1H.
What are the key properties of hydroxysulfanylcyclohexane;hydrochloride?
hydroxysulfanylcyclohexane;hydrochloride has a molecular weight of 168.69 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysulfanylcyclohexane;hydrochloride is sourced from PubChem (CID 70408617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).