2-(4-methyl-2-nitrosophenyl)sulfanylethanol

C9H11NO2S — CID 163988045

IUPAC2-(4-methyl-2-nitrosophenyl)sulfanylethanol
SMILESCc1ccc(SCCO)c(N=O)c1
InChIInChI=1S/C9H11NO2S/c1-7-2-3-9(13-5-4-11)8(6-7)10-12/h2-3,6,11H,4-5H2,1H3
InChIKeyTYBMBGVPVXQFKW-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-methyl-2-nitrosophenyl)sulfanylethanol

2-(4-methyl-2-nitrosophenyl)sulfanylethanol (PubChem CID 163988045) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrosophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(4-methyl-2-nitrosophenyl)sulfanylethanol
PubChem CID163988045
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(4-methyl-2-nitrosophenyl)sulfanylethanol
SMILESCc1ccc(SCCO)c(N=O)c1
InChIInChI=1S/C9H11NO2S/c1-7-2-3-9(13-5-4-11)8(6-7)10-12/h2-3,6,11H,4-5H2,1H3
InChIKeyTYBMBGVPVXQFKW-UHFFFAOYSA-N
XLogP2.48
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-nitrophenyl)sulfanylethanol
CID 43446267
2-(2,3,4-trimethylphenyl)sulfanylethanol
CID 116852718
N,5-dimethyl-2-propylsulfanylaniline
CID 82264987
4-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63034836
4-(2,5-dimethylphenyl)sulfanylbutan-2-one
CID 43226054
2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 54185176
1-(3-isocyanatopropylsulfanyl)-2,4-dimethylbenzene
CID 54053146
4-chloro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 114863676
5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 63802715
1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 82973483
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide
CID 60653053

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrosophenyl)sulfanylethanol?
The IUPAC name of 2-(4-methyl-2-nitrosophenyl)sulfanylethanol (CID 163988045) is 2-(4-methyl-2-nitrosophenyl)sulfanylethanol.
What is the SMILES notation for 2-(4-methyl-2-nitrosophenyl)sulfanylethanol?
The canonical SMILES for 2-(4-methyl-2-nitrosophenyl)sulfanylethanol is Cc1ccc(SCCO)c(N=O)c1.
What is the InChIKey of 2-(4-methyl-2-nitrosophenyl)sulfanylethanol?
The InChIKey is TYBMBGVPVXQFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-7-2-3-9(13-5-4-11)8(6-7)10-12/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-(4-methyl-2-nitrosophenyl)sulfanylethanol?
2-(4-methyl-2-nitrosophenyl)sulfanylethanol has a molecular weight of 197.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitrosophenyl)sulfanylethanol is sourced from PubChem (CID 163988045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).