(2-chlorophenyl)sulfanylcyclooctane

C14H19ClS — CID 122214849

IUPAC(2-chlorophenyl)sulfanylcyclooctane
SMILESClc1ccccc1SC1CCCCCCC1
InChIInChI=1S/C14H19ClS/c15-13-10-6-7-11-14(13)16-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2
InChIKeyRPSKMVFGSYKCKD-UHFFFAOYSA-N
MW254.83 g/mol
LogP5.55
Rot. Bonds2

About (2-chlorophenyl)sulfanylcyclooctane

(2-chlorophenyl)sulfanylcyclooctane (PubChem CID 122214849) has the molecular formula C14H19ClS and a molecular weight of 254.83 g/mol. Its IUPAC name is (2-chlorophenyl)sulfanylcyclooctane.

Molecular Properties

Compound Name(2-chlorophenyl)sulfanylcyclooctane
PubChem CID122214849
Molecular FormulaC14H19ClS
Molecular Weight254.83 g/mol
Exact Mass254.09
IUPAC Name(2-chlorophenyl)sulfanylcyclooctane
SMILESClc1ccccc1SC1CCCCCCC1
InChIInChI=1S/C14H19ClS/c15-13-10-6-7-11-14(13)16-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2
InChIKeyRPSKMVFGSYKCKD-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.83
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-cyclopentylsulfanylbenzoic acid
CID 63115684
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
3-chloro-4-cyclohexylsulfanylbenzonitrile
CID 63538450
3-chloro-4-cyclohexylsulfanylbenzaldehyde
CID 81159217
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
CID 55223975
1-cyclohexylsulfanylphenanthrene
CID 155025819
2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
CID 82931377
1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene
CID 148934846
2-cyclobutylsulfanylbenzaldehyde
CID 84664309
[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645559
(2-cyclohexylsulfanylphenyl) acetate
CID 10514848

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)sulfanylcyclooctane?
The IUPAC name of (2-chlorophenyl)sulfanylcyclooctane (CID 122214849) is (2-chlorophenyl)sulfanylcyclooctane.
What is the SMILES notation for (2-chlorophenyl)sulfanylcyclooctane?
The canonical SMILES for (2-chlorophenyl)sulfanylcyclooctane is Clc1ccccc1SC1CCCCCCC1.
What is the InChIKey of (2-chlorophenyl)sulfanylcyclooctane?
The InChIKey is RPSKMVFGSYKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClS/c15-13-10-6-7-11-14(13)16-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2.
What are the key properties of (2-chlorophenyl)sulfanylcyclooctane?
(2-chlorophenyl)sulfanylcyclooctane has a molecular weight of 254.83 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)sulfanylcyclooctane is sourced from PubChem (CID 122214849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).