(1-cyanocyclobutyl)methanesulfinyl chloride

C6H8ClNOS — CID 165452706

IUPAC(1-cyanocyclobutyl)methanesulfinyl chloride
SMILESN#CC1(CS(=O)Cl)CCC1
InChIInChI=1S/C6H8ClNOS/c7-10(9)5-6(4-8)2-1-3-6/h1-3,5H2
InChIKeySOFIXERQPJHNHV-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.58
Rot. Bonds2

About (1-cyanocyclobutyl)methanesulfinyl chloride

(1-cyanocyclobutyl)methanesulfinyl chloride (PubChem CID 165452706) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is (1-cyanocyclobutyl)methanesulfinyl chloride.

Molecular Properties

Compound Name(1-cyanocyclobutyl)methanesulfinyl chloride
PubChem CID165452706
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name(1-cyanocyclobutyl)methanesulfinyl chloride
SMILESN#CC1(CS(=O)Cl)CCC1
InChIInChI=1S/C6H8ClNOS/c7-10(9)5-6(4-8)2-1-3-6/h1-3,5H2
InChIKeySOFIXERQPJHNHV-UHFFFAOYSA-N
XLogP1.58
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyanocyclohexyl)methanesulfinyl chloride
CID 165452705
sodium (1-cyanocyclopentyl)methanesulfinate
CID 165454382
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
sodium (4-cyanooxan-4-yl)methanesulfinate
CID 165449640
1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile
CID 130513647
potassium (1-cyanocyclobutyl)methyl-trifluoroboranuide
CID 155821923
1-ethylcyclopentane-1-carbonitrile
CID 12859571
1-(propylaminomethyl)cyclopentane-1-carbonitrile
CID 166556871
1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
CID 82503705
1-[(3,3-dimethylbutylamino)methyl]cyclobutane-1-carbonitrile
CID 115245405
1-(4-chlorobutyl)cyclohexane-1-carbonitrile
CID 165451410
1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
CID 126983354

Frequently Asked Questions

What is the IUPAC name of (1-cyanocyclobutyl)methanesulfinyl chloride?
The IUPAC name of (1-cyanocyclobutyl)methanesulfinyl chloride (CID 165452706) is (1-cyanocyclobutyl)methanesulfinyl chloride.
What is the SMILES notation for (1-cyanocyclobutyl)methanesulfinyl chloride?
The canonical SMILES for (1-cyanocyclobutyl)methanesulfinyl chloride is N#CC1(CS(=O)Cl)CCC1.
What is the InChIKey of (1-cyanocyclobutyl)methanesulfinyl chloride?
The InChIKey is SOFIXERQPJHNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c7-10(9)5-6(4-8)2-1-3-6/h1-3,5H2.
What are the key properties of (1-cyanocyclobutyl)methanesulfinyl chloride?
(1-cyanocyclobutyl)methanesulfinyl chloride has a molecular weight of 177.66 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanocyclobutyl)methanesulfinyl chloride is sourced from PubChem (CID 165452706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).