2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole

C5H8N2S3 — CID 89302858

IUPAC2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
SMILESCSCc1nnc(SC)s1
InChIInChI=1S/C5H8N2S3/c1-8-3-4-6-7-5(9-2)10-4/h3H2,1-2H3
InChIKeyJIGRMGHGCVNIEG-UHFFFAOYSA-N
MW192.33 g/mol
LogP2.12
Rot. Bonds3

About 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole

2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole (PubChem CID 89302858) has the molecular formula C5H8N2S3 and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
PubChem CID89302858
Molecular FormulaC5H8N2S3
Molecular Weight192.33 g/mol
Exact Mass191.98
IUPAC Name2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
SMILESCSCc1nnc(SC)s1
InChIInChI=1S/C5H8N2S3/c1-8-3-4-6-7-5(9-2)10-4/h3H2,1-2H3
InChIKeyJIGRMGHGCVNIEG-UHFFFAOYSA-N
XLogP2.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole (CID 89302858) is 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole is CSCc1nnc(SC)s1.
What is the InChIKey of 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole?
The InChIKey is JIGRMGHGCVNIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S3/c1-8-3-4-6-7-5(9-2)10-4/h3H2,1-2H3.
What are the key properties of 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole?
2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole has a molecular weight of 192.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 89302858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).