2-[(2-methylphenyl)methylsulfanyl]propan-1-ol

C11H16OS — CID 115659346

IUPAC2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCc1ccccc1CSC(C)CO
InChIInChI=1S/C11H16OS/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-6,10,12H,7-8H2,1-2H3
InChIKeyXBKOLQGRRBDRCY-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.61
Rot. Bonds4

About 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol

2-[(2-methylphenyl)methylsulfanyl]propan-1-ol (PubChem CID 115659346) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
PubChem CID115659346
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCc1ccccc1CSC(C)CO
InChIInChI=1S/C11H16OS/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-6,10,12H,7-8H2,1-2H3
InChIKeyXBKOLQGRRBDRCY-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-methylphenyl)methylsulfanyl]propyl]pentan-3-amine
CID 62770035
1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene
CID 134929431
3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 114370466
2-methyl-4-[(2-methylphenyl)methylsulfanyl]-2-(propylamino)pentanoic acid
CID 64702935
N'-hydroxy-4-(1-hydroxypropan-2-ylsulfanylmethyl)-3-methylbenzenecarboximidamide
CID 114484122
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 78841431
2-[(2-chloro-4-methylphenyl)methylsulfanyl]propan-1-ol
CID 106865510
3-amino-2-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 64695857
N-(3-ethoxypropyl)-2-[(2-methylphenyl)methylsulfanyl]propan-1-amine
CID 62770036
2-[(2,6-dichlorophenyl)methylsulfanyl]propan-1-ol
CID 115659330
N'-hydroxy-2-[(2-methylphenyl)methylsulfanyl]butanimidamide
CID 76948930
2,3-dimethyl-1-[(2-methylphenyl)methylsulfanyl]butan-2-ol
CID 114447547

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol (CID 115659346) is 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol is Cc1ccccc1CSC(C)CO.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The InChIKey is XBKOLQGRRBDRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-6,10,12H,7-8H2,1-2H3.
What are the key properties of 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
2-[(2-methylphenyl)methylsulfanyl]propan-1-ol has a molecular weight of 196.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 115659346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).