3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole

C10H18N2S3 — CID 139971849

IUPAC3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole
SMILESCC(C)CSc1nsc(SCC(C)C)n1
InChIInChI=1S/C10H18N2S3/c1-7(2)5-13-9-11-10(15-12-9)14-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyPXAVLVHFMKENKF-UHFFFAOYSA-N
MW262.47 g/mol
LogP4.03
Rot. Bonds6

About 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole

3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole (PubChem CID 139971849) has the molecular formula C10H18N2S3 and a molecular weight of 262.47 g/mol. Its IUPAC name is 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole
PubChem CID139971849
Molecular FormulaC10H18N2S3
Molecular Weight262.47 g/mol
Exact Mass262.06
IUPAC Name3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole
SMILESCC(C)CSc1nsc(SCC(C)C)n1
InChIInChI=1S/C10H18N2S3/c1-7(2)5-13-9-11-10(15-12-9)14-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyPXAVLVHFMKENKF-UHFFFAOYSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole (CID 139971849) is 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole is CC(C)CSc1nsc(SCC(C)C)n1.
What is the InChIKey of 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole?
The InChIKey is PXAVLVHFMKENKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S3/c1-7(2)5-13-9-11-10(15-12-9)14-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole?
3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole has a molecular weight of 262.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 139971849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).