2-amino-N-methylbenzenecarbothioamide

C8H10N2S — CID 10797150

IUPAC2-amino-N-methylbenzenecarbothioamide
SMILESCNC(=S)c1ccccc1N
InChIInChI=1S/C8H10N2S/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyDDBSWGLLYLTWRA-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.16
Rot. Bonds1

About 2-amino-N-methylbenzenecarbothioamide

2-amino-N-methylbenzenecarbothioamide (PubChem CID 10797150) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-amino-N-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-amino-N-methylbenzenecarbothioamide
PubChem CID10797150
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-amino-N-methylbenzenecarbothioamide
SMILESCNC(=S)c1ccccc1N
InChIInChI=1S/C8H10N2S/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyDDBSWGLLYLTWRA-UHFFFAOYSA-N
XLogP1.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methylbenzenecarbothioamide
CID 83390122
N-methyl-2-propan-2-ylbenzenecarbothioamide
CID 10965376
2-aminobenzenecarbothioamide;hydrochloride
CID 172866295
benzene-1,2-diamine;N-methylmethanamine
CID 174458514
(E)-3-(2-aminophenyl)but-2-enenitrile
CID 12520881
2-amino-N-methanethioylbenzamide
CID 130277933
bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
3-amino-2-bromo-N-methylbenzamide
CID 100681188
[3-(methylamino)-3-oxopropyl] 3-amino-2-bromobenzoate
CID 113367175
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
(2-aminophenyl)-phenylmethanone
CID 158207972

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methylbenzenecarbothioamide?
The IUPAC name of 2-amino-N-methylbenzenecarbothioamide (CID 10797150) is 2-amino-N-methylbenzenecarbothioamide.
What is the SMILES notation for 2-amino-N-methylbenzenecarbothioamide?
The canonical SMILES for 2-amino-N-methylbenzenecarbothioamide is CNC(=S)c1ccccc1N.
What is the InChIKey of 2-amino-N-methylbenzenecarbothioamide?
The InChIKey is DDBSWGLLYLTWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-N-methylbenzenecarbothioamide?
2-amino-N-methylbenzenecarbothioamide has a molecular weight of 166.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methylbenzenecarbothioamide is sourced from PubChem (CID 10797150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).