5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione

C7H6N2S3 — CID 23007251

IUPAC5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
SMILESCc1ccc(-c2n[nH]c(=S)s2)s1
InChIInChI=1S/C7H6N2S3/c1-4-2-3-5(11-4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10)
InChIKeyLEISOUXLWFBQES-UHFFFAOYSA-N
MW214.34 g/mol
LogP3.24
Rot. Bonds1

About 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione

5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 23007251) has the molecular formula C7H6N2S3 and a molecular weight of 214.34 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
PubChem CID23007251
Molecular FormulaC7H6N2S3
Molecular Weight214.34 g/mol
Exact Mass213.97
IUPAC Name5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
SMILESCc1ccc(-c2n[nH]c(=S)s2)s1
InChIInChI=1S/C7H6N2S3/c1-4-2-3-5(11-4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10)
InChIKeyLEISOUXLWFBQES-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-methoxythiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
CID 130588174
5-(5-tert-butylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
CID 18709426
5-(1,3-thiazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
CID 144617469
ethyl 5-[5-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thiophen-2-yl]pentanoate
CID 70473360
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
4-ethyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
CID 67070783
5-[2-(methylamino)phenyl]-3H-1,3,4-thiadiazole-2-thione
CID 66861469
ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 145351223
silver 5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 18620396
3-(5-methylthiophen-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135624303
5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007162
5-(2-chlorothiophen-3-yl)-3H-1,3,4-thiadiazole-2-thione
CID 130697849

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione (CID 23007251) is 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione is Cc1ccc(-c2n[nH]c(=S)s2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is LEISOUXLWFBQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S3/c1-4-2-3-5(11-4)6-8-9-7(10)12-6/h2-3H,1H3,(H,9,10).
What are the key properties of 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione?
5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 214.34 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 23007251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).