N-(3-hydroxy-2-methylphenyl)methanethioamide

C8H9NOS — CID 155298404

IUPACN-(3-hydroxy-2-methylphenyl)methanethioamide
SMILESCc1c(O)cccc1NC=S
InChIInChI=1S/C8H9NOS/c1-6-7(9-5-11)3-2-4-8(6)10/h2-5,10H,1H3,(H,9,11)
InChIKeyXUVXFCCCKWTHJZ-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.07
Rot. Bonds2

About N-(3-hydroxy-2-methylphenyl)methanethioamide

N-(3-hydroxy-2-methylphenyl)methanethioamide (PubChem CID 155298404) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylphenyl)methanethioamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylphenyl)methanethioamide
PubChem CID155298404
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC NameN-(3-hydroxy-2-methylphenyl)methanethioamide
SMILESCc1c(O)cccc1NC=S
InChIInChI=1S/C8H9NOS/c1-6-7(9-5-11)3-2-4-8(6)10/h2-5,10H,1H3,(H,9,11)
InChIKeyXUVXFCCCKWTHJZ-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylphenyl)methanethioamide?
The IUPAC name of N-(3-hydroxy-2-methylphenyl)methanethioamide (CID 155298404) is N-(3-hydroxy-2-methylphenyl)methanethioamide.
What is the SMILES notation for N-(3-hydroxy-2-methylphenyl)methanethioamide?
The canonical SMILES for N-(3-hydroxy-2-methylphenyl)methanethioamide is Cc1c(O)cccc1NC=S.
What is the InChIKey of N-(3-hydroxy-2-methylphenyl)methanethioamide?
The InChIKey is XUVXFCCCKWTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6-7(9-5-11)3-2-4-8(6)10/h2-5,10H,1H3,(H,9,11).
What are the key properties of N-(3-hydroxy-2-methylphenyl)methanethioamide?
N-(3-hydroxy-2-methylphenyl)methanethioamide has a molecular weight of 167.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylphenyl)methanethioamide is sourced from PubChem (CID 155298404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).