4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid

C11H19N3OS — CID 88654343

IUPAC4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid
SMILESCCNC(=O)S.CN(C)c1ccc(N)cc1
InChIInChI=1S/C8H12N2.C3H7NOS/c1-10(2)8-5-3-7(9)4-6-8;1-2-4-3(5)6/h3-6H,9H2,1-2H3;2H2,1H3,(H2,4,5,6)
InChIKeyNANXNHOQAHMSRW-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.98
Rot. Bonds2

About 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid

4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid (PubChem CID 88654343) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid.

Molecular Properties

Compound Name4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid
PubChem CID88654343
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid
SMILESCCNC(=O)S.CN(C)c1ccc(N)cc1
InChIInChI=1S/C8H12N2.C3H7NOS/c1-10(2)8-5-3-7(9)4-6-8;1-2-4-3(5)6/h3-6H,9H2,1-2H3;2H2,1H3,(H2,4,5,6)
InChIKeyNANXNHOQAHMSRW-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
2-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
CID 161301580
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
4-(dimethylamino)-N-ethylbenzenecarbothioamide
CID 154190150
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid?
The IUPAC name of 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid (CID 88654343) is 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid.
What is the SMILES notation for 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid?
The canonical SMILES for 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid is CCNC(=O)S.CN(C)c1ccc(N)cc1.
What is the InChIKey of 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid?
The InChIKey is NANXNHOQAHMSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C3H7NOS/c1-10(2)8-5-3-7(9)4-6-8;1-2-4-3(5)6/h3-6H,9H2,1-2H3;2H2,1H3,(H2,4,5,6).
What are the key properties of 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid?
4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid has a molecular weight of 241.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid is sourced from PubChem (CID 88654343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).