1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea

C6H13N3S2 — CID 3037142

IUPAC1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea
SMILESCNC(=S)N(C)C(=S)N(C)C
InChIInChI=1S/C6H13N3S2/c1-7-5(10)9(4)6(11)8(2)3/h1-4H3,(H,7,10)
InChIKeyITJCQBIWJLTMDX-UHFFFAOYSA-N
MW191.32 g/mol
LogP0.27
Rot. Bonds

About 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea

1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea (PubChem CID 3037142) has the molecular formula C6H13N3S2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea
PubChem CID3037142
Molecular FormulaC6H13N3S2
Molecular Weight191.32 g/mol
Exact Mass191.06
IUPAC Name1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea
SMILESCNC(=S)N(C)C(=S)N(C)C
InChIInChI=1S/C6H13N3S2/c1-7-5(10)9(4)6(11)8(2)3/h1-4H3,(H,7,10)
InChIKeyITJCQBIWJLTMDX-UHFFFAOYSA-N
XLogP0.27
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea?
The IUPAC name of 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea (CID 3037142) is 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea.
What is the SMILES notation for 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea?
The canonical SMILES for 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea is CNC(=S)N(C)C(=S)N(C)C.
What is the InChIKey of 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea?
The InChIKey is ITJCQBIWJLTMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S2/c1-7-5(10)9(4)6(11)8(2)3/h1-4H3,(H,7,10).
What are the key properties of 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea?
1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea has a molecular weight of 191.32 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(methylcarbamothioyl)thiourea is sourced from PubChem (CID 3037142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).