[2-(3-methylphenyl)sulfanylcyclopropyl]methanol

C11H14OS — CID 130610527

IUPAC[2-(3-methylphenyl)sulfanylcyclopropyl]methanol
SMILESCc1cccc(SC2CC2CO)c1
InChIInChI=1S/C11H14OS/c1-8-3-2-4-10(5-8)13-11-6-9(11)7-12/h2-5,9,11-12H,6-7H2,1H3
InChIKeyHTAZPEWAJKAOOH-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.47
Rot. Bonds3

About [2-(3-methylphenyl)sulfanylcyclopropyl]methanol

[2-(3-methylphenyl)sulfanylcyclopropyl]methanol (PubChem CID 130610527) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is [2-(3-methylphenyl)sulfanylcyclopropyl]methanol.

Molecular Properties

Compound Name[2-(3-methylphenyl)sulfanylcyclopropyl]methanol
PubChem CID130610527
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name[2-(3-methylphenyl)sulfanylcyclopropyl]methanol
SMILESCc1cccc(SC2CC2CO)c1
InChIInChI=1S/C11H14OS/c1-8-3-2-4-10(5-8)13-11-6-9(11)7-12/h2-5,9,11-12H,6-7H2,1H3
InChIKeyHTAZPEWAJKAOOH-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)sulfanylcyclopentan-1-ol
CID 61244535
trans-(1S,2S)-2-(3-methylphenyl)sulfanylcyclohexan-1-ol
CID 102732787
2-(3-methylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 63099135
2-(3-methylphenyl)sulfanyl-4-propylcyclohexane-1-carboxylic acid
CID 63531338
2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64628290
(1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane
CID 58762880
3-(3-methylphenyl)sulfanylcyclopentan-1-one
CID 64724457
[(1R,2R)-2-phenylsulfanylcyclobutyl]methanol
CID 99864568
3-(3-methylphenyl)sulfanylcyclohexan-1-amine
CID 64723633
1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
4-(2-methylbutan-2-yl)-2-(3-methylphenyl)sulfanylcyclohexane-1-carbonitrile
CID 63538943
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)sulfanylcyclopropyl]methanol?
The IUPAC name of [2-(3-methylphenyl)sulfanylcyclopropyl]methanol (CID 130610527) is [2-(3-methylphenyl)sulfanylcyclopropyl]methanol.
What is the SMILES notation for [2-(3-methylphenyl)sulfanylcyclopropyl]methanol?
The canonical SMILES for [2-(3-methylphenyl)sulfanylcyclopropyl]methanol is Cc1cccc(SC2CC2CO)c1.
What is the InChIKey of [2-(3-methylphenyl)sulfanylcyclopropyl]methanol?
The InChIKey is HTAZPEWAJKAOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-3-2-4-10(5-8)13-11-6-9(11)7-12/h2-5,9,11-12H,6-7H2,1H3.
What are the key properties of [2-(3-methylphenyl)sulfanylcyclopropyl]methanol?
[2-(3-methylphenyl)sulfanylcyclopropyl]methanol has a molecular weight of 194.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)sulfanylcyclopropyl]methanol is sourced from PubChem (CID 130610527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).