2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine

C7H14N2S2 — CID 131223239

IUPAC2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
SMILESCSCCSC1=NCCCN1
InChIInChI=1S/C7H14N2S2/c1-10-5-6-11-7-8-3-2-4-9-7/h2-6H2,1H3,(H,8,9)
InChIKeyRZABYADNGMWDAT-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.43
Rot. Bonds3

About 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine

2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 131223239) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID131223239
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
SMILESCSCCSC1=NCCCN1
InChIInChI=1S/C7H14N2S2/c1-10-5-6-11-7-8-3-2-4-9-7/h2-6H2,1H3,(H,8,9)
InChIKeyRZABYADNGMWDAT-UHFFFAOYSA-N
XLogP1.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine 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-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine (CID 131223239) is 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine is CSCCSC1=NCCCN1.
What is the InChIKey of 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is RZABYADNGMWDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-10-5-6-11-7-8-3-2-4-9-7/h2-6H2,1H3,(H,8,9).
What are the key properties of 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 190.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 131223239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).