2-methylsulfanylethylthiourea

C4H10N2S2 — CID 63965554

IUPAC2-methylsulfanylethylthiourea
SMILESCSCCNC(N)=S
InChIInChI=1S/C4H10N2S2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
InChIKeyYLBZNJCGDSHOIG-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.18
Rot. Bonds3

About 2-methylsulfanylethylthiourea

2-methylsulfanylethylthiourea (PubChem CID 63965554) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2-methylsulfanylethylthiourea.

Molecular Properties

Compound Name2-methylsulfanylethylthiourea
PubChem CID63965554
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Name2-methylsulfanylethylthiourea
SMILESCSCCNC(N)=S
InChIInChI=1S/C4H10N2S2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
InChIKeyYLBZNJCGDSHOIG-UHFFFAOYSA-N
XLogP0.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylsulfanylethylthiourea 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 2-methylsulfanylethylthiourea?
The IUPAC name of 2-methylsulfanylethylthiourea (CID 63965554) is 2-methylsulfanylethylthiourea.
What is the SMILES notation for 2-methylsulfanylethylthiourea?
The canonical SMILES for 2-methylsulfanylethylthiourea is CSCCNC(N)=S.
What is the InChIKey of 2-methylsulfanylethylthiourea?
The InChIKey is YLBZNJCGDSHOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7).
What are the key properties of 2-methylsulfanylethylthiourea?
2-methylsulfanylethylthiourea has a molecular weight of 150.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethylthiourea is sourced from PubChem (CID 63965554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).