3-hydroxybenzenecarbothioamide

C7H7NOS — CID 2759343

IUPAC3-hydroxybenzenecarbothioamide
SMILESNC(=S)c1cccc(O)c1
InChIInChI=1S/C7H7NOS/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)
InChIKeyIDIHGRWUQGTNKS-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.03
Rot. Bonds1

About 3-hydroxybenzenecarbothioamide

3-hydroxybenzenecarbothioamide (PubChem CID 2759343) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 3-hydroxybenzenecarbothioamide.

Molecular Properties

Compound Name3-hydroxybenzenecarbothioamide
PubChem CID2759343
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name3-hydroxybenzenecarbothioamide
SMILESNC(=S)c1cccc(O)c1
InChIInChI=1S/C7H7NOS/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)
InChIKeyIDIHGRWUQGTNKS-UHFFFAOYSA-N
XLogP1.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.03
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 3-hydroxybenzenecarbothioamide?
The IUPAC name of 3-hydroxybenzenecarbothioamide (CID 2759343) is 3-hydroxybenzenecarbothioamide.
What is the SMILES notation for 3-hydroxybenzenecarbothioamide?
The canonical SMILES for 3-hydroxybenzenecarbothioamide is NC(=S)c1cccc(O)c1.
What is the InChIKey of 3-hydroxybenzenecarbothioamide?
The InChIKey is IDIHGRWUQGTNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10).
What are the key properties of 3-hydroxybenzenecarbothioamide?
3-hydroxybenzenecarbothioamide has a molecular weight of 153.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzenecarbothioamide is sourced from PubChem (CID 2759343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).