5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione

C6H11N3S3 — CID 112663975

IUPAC5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione
SMILESCSCCN(C)c1n[nH]c(=S)s1
InChIInChI=1S/C6H11N3S3/c1-9(3-4-11-2)5-7-8-6(10)12-5/h3-4H2,1-2H3,(H,8,10)
InChIKeyZECIWWUGISBQEI-UHFFFAOYSA-N
MW221.38 g/mol
LogP2.00
Rot. Bonds4

About 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione

5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 112663975) has the molecular formula C6H11N3S3 and a molecular weight of 221.38 g/mol. Its IUPAC name is 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione
PubChem CID112663975
Molecular FormulaC6H11N3S3
Molecular Weight221.38 g/mol
Exact Mass221.01
IUPAC Name5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione
SMILESCSCCN(C)c1n[nH]c(=S)s1
InChIInChI=1S/C6H11N3S3/c1-9(3-4-11-2)5-7-8-6(10)12-5/h3-4H2,1-2H3,(H,8,10)
InChIKeyZECIWWUGISBQEI-UHFFFAOYSA-N
XLogP2.00
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione (CID 112663975) is 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione is CSCCN(C)c1n[nH]c(=S)s1.
What is the InChIKey of 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is ZECIWWUGISBQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S3/c1-9(3-4-11-2)5-7-8-6(10)12-5/h3-4H2,1-2H3,(H,8,10).
What are the key properties of 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione?
5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 221.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-methylsulfanylethyl)amino]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 112663975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).