4-propan-2-ylsulfanyl-1,2-dihydrotriazete

C4H9N3S — CID 134527708

IUPAC4-propan-2-ylsulfanyl-1,2-dihydrotriazete
SMILESCC(C)Sc1n[nH][nH]1
InChIInChI=1S/C4H9N3S/c1-3(2)8-4-5-7-6-4/h3,7H,1-2H3,(H,5,6)
InChIKeyCAMYWEVXNCKNFN-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.24
Rot. Bonds2

About 4-propan-2-ylsulfanyl-1,2-dihydrotriazete

4-propan-2-ylsulfanyl-1,2-dihydrotriazete (PubChem CID 134527708) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is 4-propan-2-ylsulfanyl-1,2-dihydrotriazete.

Molecular Properties

Compound Name4-propan-2-ylsulfanyl-1,2-dihydrotriazete
PubChem CID134527708
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC Name4-propan-2-ylsulfanyl-1,2-dihydrotriazete
SMILESCC(C)Sc1n[nH][nH]1
InChIInChI=1S/C4H9N3S/c1-3(2)8-4-5-7-6-4/h3,7H,1-2H3,(H,5,6)
InChIKeyCAMYWEVXNCKNFN-UHFFFAOYSA-N
XLogP1.24
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanyl-1,2-dihydrotriazete?
The IUPAC name of 4-propan-2-ylsulfanyl-1,2-dihydrotriazete (CID 134527708) is 4-propan-2-ylsulfanyl-1,2-dihydrotriazete.
What is the SMILES notation for 4-propan-2-ylsulfanyl-1,2-dihydrotriazete?
The canonical SMILES for 4-propan-2-ylsulfanyl-1,2-dihydrotriazete is CC(C)Sc1n[nH][nH]1.
What is the InChIKey of 4-propan-2-ylsulfanyl-1,2-dihydrotriazete?
The InChIKey is CAMYWEVXNCKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c1-3(2)8-4-5-7-6-4/h3,7H,1-2H3,(H,5,6).
What are the key properties of 4-propan-2-ylsulfanyl-1,2-dihydrotriazete?
4-propan-2-ylsulfanyl-1,2-dihydrotriazete has a molecular weight of 131.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanyl-1,2-dihydrotriazete is sourced from PubChem (CID 134527708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).