3,4-dimethyl-1,2,5-thiadiazolidine

C4H10N2S — CID 20583503

IUPAC3,4-dimethyl-1,2,5-thiadiazolidine
SMILESCC1NSNC1C
InChIInChI=1S/C4H10N2S/c1-3-4(2)6-7-5-3/h3-6H,1-2H3
InChIKeyCWFUNHNLYSCDGQ-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.52
Rot. Bonds

About 3,4-dimethyl-1,2,5-thiadiazolidine

3,4-dimethyl-1,2,5-thiadiazolidine (PubChem CID 20583503) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 3,4-dimethyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name3,4-dimethyl-1,2,5-thiadiazolidine
PubChem CID20583503
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name3,4-dimethyl-1,2,5-thiadiazolidine
SMILESCC1NSNC1C
InChIInChI=1S/C4H10N2S/c1-3-4(2)6-7-5-3/h3-6H,1-2H3
InChIKeyCWFUNHNLYSCDGQ-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,2,5-thiadiazolidine?
The IUPAC name of 3,4-dimethyl-1,2,5-thiadiazolidine (CID 20583503) is 3,4-dimethyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 3,4-dimethyl-1,2,5-thiadiazolidine?
The canonical SMILES for 3,4-dimethyl-1,2,5-thiadiazolidine is CC1NSNC1C.
What is the InChIKey of 3,4-dimethyl-1,2,5-thiadiazolidine?
The InChIKey is CWFUNHNLYSCDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-3-4(2)6-7-5-3/h3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-1,2,5-thiadiazolidine?
3,4-dimethyl-1,2,5-thiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 20583503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).