6-methylsulfanylhexylurea

C8H18N2OS — CID 15380342

IUPAC6-methylsulfanylhexylurea
SMILESCSCCCCCCNC(N)=O
InChIInChI=1S/C8H18N2OS/c1-12-7-5-3-2-4-6-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKeyBGQVRKBZEWBJPH-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.58
Rot. Bonds7

About 6-methylsulfanylhexylurea

6-methylsulfanylhexylurea (PubChem CID 15380342) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 6-methylsulfanylhexylurea.

Molecular Properties

Compound Name6-methylsulfanylhexylurea
PubChem CID15380342
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name6-methylsulfanylhexylurea
SMILESCSCCCCCCNC(N)=O
InChIInChI=1S/C8H18N2OS/c1-12-7-5-3-2-4-6-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKeyBGQVRKBZEWBJPH-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methylsulfanylhexylurea 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 6-methylsulfanylhexylurea?
The IUPAC name of 6-methylsulfanylhexylurea (CID 15380342) is 6-methylsulfanylhexylurea.
What is the SMILES notation for 6-methylsulfanylhexylurea?
The canonical SMILES for 6-methylsulfanylhexylurea is CSCCCCCCNC(N)=O.
What is the InChIKey of 6-methylsulfanylhexylurea?
The InChIKey is BGQVRKBZEWBJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-12-7-5-3-2-4-6-10-8(9)11/h2-7H2,1H3,(H3,9,10,11).
What are the key properties of 6-methylsulfanylhexylurea?
6-methylsulfanylhexylurea has a molecular weight of 190.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylhexylurea is sourced from PubChem (CID 15380342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).