(5R)-5-methyl-1,2,4-triazolidine-3-thione

C3H7N3S — CID 163442602

IUPAC(5R)-5-methyl-1,2,4-triazolidine-3-thione
SMILESC[C@H]1NNC(=S)N1
InChIInChI=1S/C3H7N3S/c1-2-4-3(7)6-5-2/h2,5H,1H3,(H2,4,6,7)/t2-/m1/s1
InChIKeyAZUHMDKELQSISC-UWTATZPHSA-N
MW117.18 g/mol
LogP-0.69
Rot. Bonds

About (5R)-5-methyl-1,2,4-triazolidine-3-thione

(5R)-5-methyl-1,2,4-triazolidine-3-thione (PubChem CID 163442602) has the molecular formula C3H7N3S and a molecular weight of 117.18 g/mol. Its IUPAC name is (5R)-5-methyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name(5R)-5-methyl-1,2,4-triazolidine-3-thione
PubChem CID163442602
Molecular FormulaC3H7N3S
Molecular Weight117.18 g/mol
Exact Mass117.04
IUPAC Name(5R)-5-methyl-1,2,4-triazolidine-3-thione
SMILESC[C@H]1NNC(=S)N1
InChIInChI=1S/C3H7N3S/c1-2-4-3(7)6-5-2/h2,5H,1H3,(H2,4,6,7)/t2-/m1/s1
InChIKeyAZUHMDKELQSISC-UWTATZPHSA-N
XLogP-0.69
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1,2,4-triazolidine-3-thione?
The IUPAC name of (5R)-5-methyl-1,2,4-triazolidine-3-thione (CID 163442602) is (5R)-5-methyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for (5R)-5-methyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for (5R)-5-methyl-1,2,4-triazolidine-3-thione is C[C@H]1NNC(=S)N1.
What is the InChIKey of (5R)-5-methyl-1,2,4-triazolidine-3-thione?
The InChIKey is AZUHMDKELQSISC-UWTATZPHSA-N. The full InChI is InChI=1S/C3H7N3S/c1-2-4-3(7)6-5-2/h2,5H,1H3,(H2,4,6,7)/t2-/m1/s1.
What are the key properties of (5R)-5-methyl-1,2,4-triazolidine-3-thione?
(5R)-5-methyl-1,2,4-triazolidine-3-thione has a molecular weight of 117.18 g/mol, XLogP of -0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 163442602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).