1,1,3-trimethyl-3-sulfanylurea

C4H10N2OS — CID 88793669

IUPAC1,1,3-trimethyl-3-sulfanylurea
SMILESCN(C)C(=O)N(C)S
InChIInChI=1S/C4H10N2OS/c1-5(2)4(7)6(3)8/h8H,1-3H3
InChIKeyVOSPZOXNWUSPCY-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.44
Rot. Bonds

About 1,1,3-trimethyl-3-sulfanylurea

1,1,3-trimethyl-3-sulfanylurea (PubChem CID 88793669) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-sulfanylurea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-sulfanylurea
PubChem CID88793669
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1,1,3-trimethyl-3-sulfanylurea
SMILESCN(C)C(=O)N(C)S
InChIInChI=1S/C4H10N2OS/c1-5(2)4(7)6(3)8/h8H,1-3H3
InChIKeyVOSPZOXNWUSPCY-UHFFFAOYSA-N
XLogP0.44
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,1,3-trimethyl-3-sulfanylurea 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-sulfanylurea?
The IUPAC name of 1,1,3-trimethyl-3-sulfanylurea (CID 88793669) is 1,1,3-trimethyl-3-sulfanylurea.
What is the SMILES notation for 1,1,3-trimethyl-3-sulfanylurea?
The canonical SMILES for 1,1,3-trimethyl-3-sulfanylurea is CN(C)C(=O)N(C)S.
What is the InChIKey of 1,1,3-trimethyl-3-sulfanylurea?
The InChIKey is VOSPZOXNWUSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-5(2)4(7)6(3)8/h8H,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-sulfanylurea?
1,1,3-trimethyl-3-sulfanylurea has a molecular weight of 134.20 g/mol, XLogP of 0.44, 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-sulfanylurea is sourced from PubChem (CID 88793669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).