4-methyl-2-(methylamino)benzenecarbothioamide

C9H12N2S — CID 62309052

IUPAC4-methyl-2-(methylamino)benzenecarbothioamide
SMILESCNc1cc(C)ccc1C(N)=S
InChIInChI=1S/C9H12N2S/c1-6-3-4-7(9(10)12)8(5-6)11-2/h3-5,11H,1-2H3,(H2,10,12)
InChIKeyYNWKNIGAZGAGJL-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.67
Rot. Bonds2

About 4-methyl-2-(methylamino)benzenecarbothioamide

4-methyl-2-(methylamino)benzenecarbothioamide (PubChem CID 62309052) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)benzenecarbothioamide.

Molecular Properties

Compound Name4-methyl-2-(methylamino)benzenecarbothioamide
PubChem CID62309052
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name4-methyl-2-(methylamino)benzenecarbothioamide
SMILESCNc1cc(C)ccc1C(N)=S
InChIInChI=1S/C9H12N2S/c1-6-3-4-7(9(10)12)8(5-6)11-2/h3-5,11H,1-2H3,(H2,10,12)
InChIKeyYNWKNIGAZGAGJL-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(furan-2-yl)ethylamino]-4-methylbenzenecarbothioamide
CID 55057358
2-(2,6-difluoroanilino)-4-methylbenzenecarbothioamide
CID 62309240
2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzenecarbothioamide
CID 62301266
4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]benzenecarbothioamide
CID 62846688
4-methyl-2-(3-methylpentan-2-ylamino)benzenecarbothioamide
CID 62302433
4-methyl-2-(2-methylsulfanylanilino)benzenecarbothioamide
CID 107644930
2-(hexan-3-ylamino)-4-methylbenzenecarbothioamide
CID 62303796
4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenecarbothioamide
CID 62301253
4-methyl-2-[(2-methylpyrazol-3-yl)amino]benzenecarbothioamide
CID 62301430
2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide
CID 62303779
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314848
4-methyl-2-[(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 62307855

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)benzenecarbothioamide?
The IUPAC name of 4-methyl-2-(methylamino)benzenecarbothioamide (CID 62309052) is 4-methyl-2-(methylamino)benzenecarbothioamide.
What is the SMILES notation for 4-methyl-2-(methylamino)benzenecarbothioamide?
The canonical SMILES for 4-methyl-2-(methylamino)benzenecarbothioamide is CNc1cc(C)ccc1C(N)=S.
What is the InChIKey of 4-methyl-2-(methylamino)benzenecarbothioamide?
The InChIKey is YNWKNIGAZGAGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-6-3-4-7(9(10)12)8(5-6)11-2/h3-5,11H,1-2H3,(H2,10,12).
What are the key properties of 4-methyl-2-(methylamino)benzenecarbothioamide?
4-methyl-2-(methylamino)benzenecarbothioamide has a molecular weight of 180.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)benzenecarbothioamide is sourced from PubChem (CID 62309052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).