cyclohexylmethanesulfinyl chloride

C7H13ClOS — CID 130879952

IUPACcyclohexylmethanesulfinyl chloride
SMILESO=S(Cl)CC1CCCCC1
InChIInChI=1S/C7H13ClOS/c8-10(9)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyFTUFCYWZDWLUFP-UHFFFAOYSA-N
MW180.70 g/mol
LogP2.47
Rot. Bonds2

About cyclohexylmethanesulfinyl chloride

cyclohexylmethanesulfinyl chloride (PubChem CID 130879952) has the molecular formula C7H13ClOS and a molecular weight of 180.70 g/mol. Its IUPAC name is cyclohexylmethanesulfinyl chloride.

Molecular Properties

Compound Namecyclohexylmethanesulfinyl chloride
PubChem CID130879952
Molecular FormulaC7H13ClOS
Molecular Weight180.70 g/mol
Exact Mass180.04
IUPAC Namecyclohexylmethanesulfinyl chloride
SMILESO=S(Cl)CC1CCCCC1
InChIInChI=1S/C7H13ClOS/c8-10(9)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyFTUFCYWZDWLUFP-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.70
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexylethanesulfinyl chloride
CID 165453642
cyclohexylmethanesulfinate
CID 57427117
2-(cyclohexylmethylsulfinyl)ethanamine
CID 58684182
3-(cyclohexylmethylsulfinylmethyl)azetidine
CID 81196611
cyclobutylmethanesulfinamide
CID 143912187
3-(cyclohexylmethylsulfinyl)butan-1-amine
CID 81195369
3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine
CID 64655468
cyclononylmethanethiol
CID 88545398
3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
CID 81200825
5-(cyclopentylmethylsulfinyl)pentanenitrile
CID 64698774
4-(cyclohexylmethylsulfinyl)aniline
CID 61369022
cyclopentadecylmethylcyclopentadecane
CID 91804599

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanesulfinyl chloride?
The IUPAC name of cyclohexylmethanesulfinyl chloride (CID 130879952) is cyclohexylmethanesulfinyl chloride.
What is the SMILES notation for cyclohexylmethanesulfinyl chloride?
The canonical SMILES for cyclohexylmethanesulfinyl chloride is O=S(Cl)CC1CCCCC1.
What is the InChIKey of cyclohexylmethanesulfinyl chloride?
The InChIKey is FTUFCYWZDWLUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClOS/c8-10(9)6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of cyclohexylmethanesulfinyl chloride?
cyclohexylmethanesulfinyl chloride has a molecular weight of 180.70 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanesulfinyl chloride is sourced from PubChem (CID 130879952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).