4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide

C11H16N2S — CID 60929815

IUPAC4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide
SMILESCCN(C)c1ccc(C(N)=S)cc1C
InChIInChI=1S/C11H16N2S/c1-4-13(3)10-6-5-9(11(12)14)7-8(10)2/h5-7H,4H2,1-3H3,(H2,12,14)
InChIKeyDLFNTCXKWOBBMD-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.09
Rot. Bonds3

About 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide

4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide (PubChem CID 60929815) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide
PubChem CID60929815
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide
SMILESCCN(C)c1ccc(C(N)=S)cc1C
InChIInChI=1S/C11H16N2S/c1-4-13(3)10-6-5-9(11(12)14)7-8(10)2/h5-7H,4H2,1-3H3,(H2,12,14)
InChIKeyDLFNTCXKWOBBMD-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[methyl(propyl)amino]benzenecarbothioamide
CID 60930072
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarbothioamide
CID 60930184
1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
CID 20641435
2-(4-carbamothioyl-N-ethyl-2-methylanilino)-N-methylacetamide
CID 54948273
3-methyl-4-[propan-2-yl(propyl)amino]benzenecarbothioamide
CID 54934148
3-chloro-4-[(N,2,4-trimethylanilino)methyl]benzenecarbothioamide
CID 102666208
4-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbenzenecarbothioamide
CID 55008650
3-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzenecarbothioamide
CID 55008708
4-carbamothioyl-2-methylbenzoic acid
CID 87194457
3-methyl-4-[[methyl(pentan-3-yl)amino]methyl]benzenecarbothioamide
CID 114481751
4-[ethyl(methyl)amino]-2,3-difluorobenzenecarbothioamide
CID 107934512
2-[(4-carbamothioyl-2-methylphenyl)methyl-methylamino]-N-methylacetamide
CID 114481737

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide?
The IUPAC name of 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide (CID 60929815) is 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide is CCN(C)c1ccc(C(N)=S)cc1C.
What is the InChIKey of 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide?
The InChIKey is DLFNTCXKWOBBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-13(3)10-6-5-9(11(12)14)7-8(10)2/h5-7H,4H2,1-3H3,(H2,12,14).
What are the key properties of 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide?
4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide has a molecular weight of 208.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-3-methylbenzenecarbothioamide is sourced from PubChem (CID 60929815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).