(1-cyanocyclohexyl)methanesulfinyl chloride

C8H12ClNOS — CID 165452705

IUPAC(1-cyanocyclohexyl)methanesulfinyl chloride
SMILESN#CC1(CS(=O)Cl)CCCCC1
InChIInChI=1S/C8H12ClNOS/c9-12(11)7-8(6-10)4-2-1-3-5-8/h1-5,7H2
InChIKeyCLSOILQOCGDRAW-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.36
Rot. Bonds2

About (1-cyanocyclohexyl)methanesulfinyl chloride

(1-cyanocyclohexyl)methanesulfinyl chloride (PubChem CID 165452705) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is (1-cyanocyclohexyl)methanesulfinyl chloride.

Molecular Properties

Compound Name(1-cyanocyclohexyl)methanesulfinyl chloride
PubChem CID165452705
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name(1-cyanocyclohexyl)methanesulfinyl chloride
SMILESN#CC1(CS(=O)Cl)CCCCC1
InChIInChI=1S/C8H12ClNOS/c9-12(11)7-8(6-10)4-2-1-3-5-8/h1-5,7H2
InChIKeyCLSOILQOCGDRAW-UHFFFAOYSA-N
XLogP2.36
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyanocyclobutyl)methanesulfinyl chloride
CID 165452706
sodium (1-cyanocyclopentyl)methanesulfinate
CID 165454382
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
1-ethylcyclopentane-1-carbonitrile
CID 12859571
1-(4-chlorobutyl)cyclohexane-1-carbonitrile
CID 165451410
1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
CID 130514134
potassium 2-(1-cyanocyclohexyl)acetate
CID 23672403
1-(cyclopropylmethyl)cyclohexane-1-carbonitrile
CID 126977193
1-(2-methylidenebutyl)cyclohexane-1-carbonitrile
CID 130513478
sodium (4-cyanooxan-4-yl)methanesulfinate
CID 165449640
1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile
CID 130513551
1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
CID 126983354

Frequently Asked Questions

What is the IUPAC name of (1-cyanocyclohexyl)methanesulfinyl chloride?
The IUPAC name of (1-cyanocyclohexyl)methanesulfinyl chloride (CID 165452705) is (1-cyanocyclohexyl)methanesulfinyl chloride.
What is the SMILES notation for (1-cyanocyclohexyl)methanesulfinyl chloride?
The canonical SMILES for (1-cyanocyclohexyl)methanesulfinyl chloride is N#CC1(CS(=O)Cl)CCCCC1.
What is the InChIKey of (1-cyanocyclohexyl)methanesulfinyl chloride?
The InChIKey is CLSOILQOCGDRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c9-12(11)7-8(6-10)4-2-1-3-5-8/h1-5,7H2.
What are the key properties of (1-cyanocyclohexyl)methanesulfinyl chloride?
(1-cyanocyclohexyl)methanesulfinyl chloride has a molecular weight of 205.71 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanocyclohexyl)methanesulfinyl chloride is sourced from PubChem (CID 165452705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).