4-(1-methylsulfanylethyl)thiadiazole

C5H8N2S2 — CID 141307552

IUPAC4-(1-methylsulfanylethyl)thiadiazole
SMILESCSC(C)c1csnn1
InChIInChI=1S/C5H8N2S2/c1-4(8-2)5-3-9-7-6-5/h3-4H,1-2H3
InChIKeyXJQXZJYGQJAPBY-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.96
Rot. Bonds2

About 4-(1-methylsulfanylethyl)thiadiazole

4-(1-methylsulfanylethyl)thiadiazole (PubChem CID 141307552) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 4-(1-methylsulfanylethyl)thiadiazole.

Molecular Properties

Compound Name4-(1-methylsulfanylethyl)thiadiazole
PubChem CID141307552
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name4-(1-methylsulfanylethyl)thiadiazole
SMILESCSC(C)c1csnn1
InChIInChI=1S/C5H8N2S2/c1-4(8-2)5-3-9-7-6-5/h3-4H,1-2H3
InChIKeyXJQXZJYGQJAPBY-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-t-Butyl-1,2,3-thiadiazole
CID 2748877
4-Propylthiadiazole
CID 12679018
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
Ethyl thiadiazole
CID 13427198
4-(Methylsulfanylmethyl)thiadiazole
CID 85680433
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
2-(Thiadiazol-4-yl)ethanethial
CID 54156344
4-Prop-2-enylthiadiazole
CID 54454030
1-(Thiadiazol-4-yl)ethanethiol
CID 57115605
4-(1,3-Dithiol-2-yl)thiadiazole
CID 57251423
1-(Thiadiazol-4-yl)propane-1-thiol
CID 57280063
4-(Ethylsulfanylmethyl)thiadiazole
CID 59155054

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfanylethyl)thiadiazole?
The IUPAC name of 4-(1-methylsulfanylethyl)thiadiazole (CID 141307552) is 4-(1-methylsulfanylethyl)thiadiazole.
What is the SMILES notation for 4-(1-methylsulfanylethyl)thiadiazole?
The canonical SMILES for 4-(1-methylsulfanylethyl)thiadiazole is CSC(C)c1csnn1.
What is the InChIKey of 4-(1-methylsulfanylethyl)thiadiazole?
The InChIKey is XJQXZJYGQJAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-4(8-2)5-3-9-7-6-5/h3-4H,1-2H3.
What are the key properties of 4-(1-methylsulfanylethyl)thiadiazole?
4-(1-methylsulfanylethyl)thiadiazole has a molecular weight of 160.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfanylethyl)thiadiazole is sourced from PubChem (CID 141307552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).