2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole

C5H6N2S3 — CID 175403476

IUPAC2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole
SMILESc1nnc(SCC2CS2)s1
InChIInChI=1S/C5H6N2S3/c1-4(8-1)2-9-5-7-6-3-10-5/h3-4H,1-2H2
InChIKeyIMAKJLGUHKGEHI-UHFFFAOYSA-N
MW190.32 g/mol
LogP1.75
Rot. Bonds3

About 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole

2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 175403476) has the molecular formula C5H6N2S3 and a molecular weight of 190.32 g/mol. Its IUPAC name is 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole
PubChem CID175403476
Molecular FormulaC5H6N2S3
Molecular Weight190.32 g/mol
Exact Mass189.97
IUPAC Name2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole
SMILESc1nnc(SCC2CS2)s1
InChIInChI=1S/C5H6N2S3/c1-4(8-1)2-9-5-7-6-3-10-5/h3-4H,1-2H2
InChIKeyIMAKJLGUHKGEHI-UHFFFAOYSA-N
XLogP1.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole
CID 130658941
2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
CID 66224085
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine
CID 64533467
1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclobutan-1-ol
CID 131019264
1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755410
1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755413
3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 43388629
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
CID 62577257
2-[[1-(4-chlorophenyl)triazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
CID 71858539
2-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 47096414
6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 79238970
N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 62577881

Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole (CID 175403476) is 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole is c1nnc(SCC2CS2)s1.
What is the InChIKey of 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is IMAKJLGUHKGEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S3/c1-4(8-1)2-9-5-7-6-3-10-5/h3-4H,1-2H2.
What are the key properties of 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole?
2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 190.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 175403476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).