N-hydroxybenzenecarbothioamide

C7H7NOS — CID 12637482

IUPACN-hydroxybenzenecarbothioamide
SMILESONC(=S)c1ccccc1
InChIInChI=1S/C7H7NOS/c9-8-7(10)6-4-2-1-3-5-6/h1-5,9H,(H,8,10)
InChIKeyFBYRYEFDOMKFEE-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.34
Rot. Bonds1

About N-hydroxybenzenecarbothioamide

N-hydroxybenzenecarbothioamide (PubChem CID 12637482) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is N-hydroxybenzenecarbothioamide.

Molecular Properties

Compound NameN-hydroxybenzenecarbothioamide
PubChem CID12637482
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC NameN-hydroxybenzenecarbothioamide
SMILESONC(=S)c1ccccc1
InChIInChI=1S/C7H7NOS/c9-8-7(10)6-4-2-1-3-5-6/h1-5,9H,(H,8,10)
InChIKeyFBYRYEFDOMKFEE-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxybenzenecarbothioamide?
The IUPAC name of N-hydroxybenzenecarbothioamide (CID 12637482) is N-hydroxybenzenecarbothioamide.
What is the SMILES notation for N-hydroxybenzenecarbothioamide?
The canonical SMILES for N-hydroxybenzenecarbothioamide is ONC(=S)c1ccccc1.
What is the InChIKey of N-hydroxybenzenecarbothioamide?
The InChIKey is FBYRYEFDOMKFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c9-8-7(10)6-4-2-1-3-5-6/h1-5,9H,(H,8,10).
What are the key properties of N-hydroxybenzenecarbothioamide?
N-hydroxybenzenecarbothioamide has a molecular weight of 153.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxybenzenecarbothioamide is sourced from PubChem (CID 12637482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).