N-anilinomethanethioamide

C7H8N2S — CID 11094820

IUPACN-anilinomethanethioamide
SMILESS=CNNc1ccccc1
InChIInChI=1S/C7H8N2S/c10-6-8-9-7-4-2-1-3-5-7/h1-6,9H,(H,8,10)
InChIKeyVBFBZJMQFKAUQH-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.56
Rot. Bonds3

About N-anilinomethanethioamide

N-anilinomethanethioamide (PubChem CID 11094820) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-anilinomethanethioamide.

Molecular Properties

Compound NameN-anilinomethanethioamide
PubChem CID11094820
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC NameN-anilinomethanethioamide
SMILESS=CNNc1ccccc1
InChIInChI=1S/C7H8N2S/c10-6-8-9-7-4-2-1-3-5-7/h1-6,9H,(H,8,10)
InChIKeyVBFBZJMQFKAUQH-UHFFFAOYSA-N
XLogP1.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.56
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-anilinomethanethioamide?
The IUPAC name of N-anilinomethanethioamide (CID 11094820) is N-anilinomethanethioamide.
What is the SMILES notation for N-anilinomethanethioamide?
The canonical SMILES for N-anilinomethanethioamide is S=CNNc1ccccc1.
What is the InChIKey of N-anilinomethanethioamide?
The InChIKey is VBFBZJMQFKAUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c10-6-8-9-7-4-2-1-3-5-7/h1-6,9H,(H,8,10).
What are the key properties of N-anilinomethanethioamide?
N-anilinomethanethioamide has a molecular weight of 152.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilinomethanethioamide is sourced from PubChem (CID 11094820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).