1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine

C6H9N3S3 — CID 58088048

IUPAC1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine
SMILESCSC(=Nc1nc(C)ns1)SC
InChIInChI=1S/C6H9N3S3/c1-4-7-5(12-9-4)8-6(10-2)11-3/h1-3H3
InChIKeyVEGLDOGYVHCXAC-UHFFFAOYSA-N
MW219.36 g/mol
LogP2.56
Rot. Bonds1

About 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine

1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine (PubChem CID 58088048) has the molecular formula C6H9N3S3 and a molecular weight of 219.36 g/mol. Its IUPAC name is 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine.

Molecular Properties

Compound Name1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine
PubChem CID58088048
Molecular FormulaC6H9N3S3
Molecular Weight219.36 g/mol
Exact Mass219.00
IUPAC Name1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine
SMILESCSC(=Nc1nc(C)ns1)SC
InChIInChI=1S/C6H9N3S3/c1-4-7-5(12-9-4)8-6(10-2)11-3/h1-3H3
InChIKeyVEGLDOGYVHCXAC-UHFFFAOYSA-N
XLogP2.56
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine?
The IUPAC name of 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine (CID 58088048) is 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine.
What is the SMILES notation for 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine?
The canonical SMILES for 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine is CSC(=Nc1nc(C)ns1)SC.
What is the InChIKey of 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine?
The InChIKey is VEGLDOGYVHCXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S3/c1-4-7-5(12-9-4)8-6(10-2)11-3/h1-3H3.
What are the key properties of 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine?
1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine has a molecular weight of 219.36 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methylsulfanyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)methanimine is sourced from PubChem (CID 58088048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).