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

C4H10N2S — CID 70086730

IUPAC2,3-dimethyl-1,2,5-thiadiazolidine
SMILESCC1CNSN1C
InChIInChI=1S/C4H10N2S/c1-4-3-5-7-6(4)2/h4-5H,3H2,1-2H3
InChIKeyXGVISOCADYIQPW-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.47
Rot. Bonds

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

2,3-dimethyl-1,2,5-thiadiazolidine (PubChem CID 70086730) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 2,3-dimethyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name2,3-dimethyl-1,2,5-thiadiazolidine
PubChem CID70086730
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name2,3-dimethyl-1,2,5-thiadiazolidine
SMILESCC1CNSN1C
InChIInChI=1S/C4H10N2S/c1-4-3-5-7-6(4)2/h4-5H,3H2,1-2H3
InChIKeyXGVISOCADYIQPW-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Isopropyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10397135
2,4-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 19873535
2,3,4-Trimethyl-1,2,5-thiadiazolidine
CID 20583495
3,4-Dimethyl-1,2,5-thiadiazolidine
CID 20583503
N-methyl-1,2-thiazolidin-4-amine
CID 20736566
2-Methyl-1,2,5-thiadiazolidine
CID 57798923
3-Methyl-1,2,5-thiadiazolidine
CID 68099549
2-Cyclopropyl-1,2,5-thiadiazolidine
CID 69348749
2-Ethyl-1,2,5-thiadiazolidine
CID 70101760
N-methyl-N-pyrrolidin-3-ylthiohydroxylamine
CID 88966938
2-Tert-butyl-1,2,5-thiadiazolidine
CID 118697787
2-Propan-2-yl-1,2,5-thiadiazolidine
CID 123695274

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,2,5-thiadiazolidine?
The IUPAC name of 2,3-dimethyl-1,2,5-thiadiazolidine (CID 70086730) is 2,3-dimethyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 2,3-dimethyl-1,2,5-thiadiazolidine?
The canonical SMILES for 2,3-dimethyl-1,2,5-thiadiazolidine is CC1CNSN1C.
What is the InChIKey of 2,3-dimethyl-1,2,5-thiadiazolidine?
The InChIKey is XGVISOCADYIQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-4-3-5-7-6(4)2/h4-5H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,2,5-thiadiazolidine?
2,3-dimethyl-1,2,5-thiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 70086730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).