4-(ethylsulfanylmethyl)thiadiazole

C5H8N2S2 — CID 59155054

IUPAC4-(ethylsulfanylmethyl)thiadiazole
SMILESCCSCc1csnn1
InChIInChI=1S/C5H8N2S2/c1-2-8-3-5-4-9-7-6-5/h4H,2-3H2,1H3
InChIKeyVBRPWCRNQZJTPF-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.79
Rot. Bonds3

About 4-(ethylsulfanylmethyl)thiadiazole

4-(ethylsulfanylmethyl)thiadiazole (PubChem CID 59155054) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)thiadiazole
PubChem CID59155054
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name4-(ethylsulfanylmethyl)thiadiazole
SMILESCCSCc1csnn1
InChIInChI=1S/C5H8N2S2/c1-2-8-3-5-4-9-7-6-5/h4H,2-3H2,1H3
InChIKeyVBRPWCRNQZJTPF-UHFFFAOYSA-N
XLogP1.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)thiadiazole?
The IUPAC name of 4-(ethylsulfanylmethyl)thiadiazole (CID 59155054) is 4-(ethylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 4-(ethylsulfanylmethyl)thiadiazole?
The canonical SMILES for 4-(ethylsulfanylmethyl)thiadiazole is CCSCc1csnn1.
What is the InChIKey of 4-(ethylsulfanylmethyl)thiadiazole?
The InChIKey is VBRPWCRNQZJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-2-8-3-5-4-9-7-6-5/h4H,2-3H2,1H3.
What are the key properties of 4-(ethylsulfanylmethyl)thiadiazole?
4-(ethylsulfanylmethyl)thiadiazole has a molecular weight of 160.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 59155054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).