cyclohexyl thiohypochlorite

C12H22Cl2S2 — CID 174496435

IUPACcyclohexyl thiohypochlorite
SMILESClSC1CCCCC1.ClSC1CCCCC1
InChIInChI=1S/2C6H11ClS/c2*7-8-6-4-2-1-3-5-6/h2*6H,1-5H2
InChIKeyNUWOKXPTSVLXNW-UHFFFAOYSA-N
MW301.35 g/mol
LogP6.41
Rot. Bonds2

About cyclohexyl thiohypochlorite

cyclohexyl thiohypochlorite (PubChem CID 174496435) has the molecular formula C12H22Cl2S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is cyclohexyl thiohypochlorite.

Molecular Properties

Compound Namecyclohexyl thiohypochlorite
PubChem CID174496435
Molecular FormulaC12H22Cl2S2
Molecular Weight301.35 g/mol
Exact Mass300.05
IUPAC Namecyclohexyl thiohypochlorite
SMILESClSC1CCCCC1.ClSC1CCCCC1
InChIInChI=1S/2C6H11ClS/c2*7-8-6-4-2-1-3-5-6/h2*6H,1-5H2
InChIKeyNUWOKXPTSVLXNW-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
disulfanylcyclododecane
CID 87475322
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
methanamine;methylsulfanylcyclohexane
CID 143239211
cyclohexylsulfanylmethanamine
CID 18729999
ethylsulfanylcycloheptane
CID 67666697
tert-butylsulfanylcycloundecane
CID 123259854
1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
CID 76563943
butylsulfanylcycloheptane
CID 14970942
1,4-bis(cyclodecylsulfanyl)piperazine-2,5-dione
CID 154345603
cyclohexylsulfanylformic acid
CID 57292109
ethylsulfanylcyclohexane;hydrate
CID 154657680

Frequently Asked Questions

What is the IUPAC name of cyclohexyl thiohypochlorite?
The IUPAC name of cyclohexyl thiohypochlorite (CID 174496435) is cyclohexyl thiohypochlorite.
What is the SMILES notation for cyclohexyl thiohypochlorite?
The canonical SMILES for cyclohexyl thiohypochlorite is ClSC1CCCCC1.ClSC1CCCCC1.
What is the InChIKey of cyclohexyl thiohypochlorite?
The InChIKey is NUWOKXPTSVLXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11ClS/c2*7-8-6-4-2-1-3-5-6/h2*6H,1-5H2.
What are the key properties of cyclohexyl thiohypochlorite?
cyclohexyl thiohypochlorite has a molecular weight of 301.35 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl thiohypochlorite is sourced from PubChem (CID 174496435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).