(1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane

C7H15N3S — CID 145183585

IUPAC(1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane
SMILESCCn1cc(S(C)(C)C)nn1
InChIInChI=1S/C7H15N3S/c1-5-10-6-7(8-9-10)11(2,3)4/h6H,5H2,1-4H3
InChIKeyHNOYRSUEQZGLAC-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.35
Rot. Bonds2

About (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane

(1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane (PubChem CID 145183585) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane
PubChem CID145183585
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name(1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane
SMILESCCn1cc(S(C)(C)C)nn1
InChIInChI=1S/C7H15N3S/c1-5-10-6-7(8-9-10)11(2,3)4/h6H,5H2,1-4H3
InChIKeyHNOYRSUEQZGLAC-UHFFFAOYSA-N
XLogP1.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane (CID 145183585) is (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane is CCn1cc(S(C)(C)C)nn1.
What is the InChIKey of (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane?
The InChIKey is HNOYRSUEQZGLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-5-10-6-7(8-9-10)11(2,3)4/h6H,5H2,1-4H3.
What are the key properties of (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane?
(1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane has a molecular weight of 173.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyltriazol-4-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 145183585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).