1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine

Name: 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃H₁₀N₂O₂S — CID 91096968

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine

SMILESCN1CCNS1(O)O

InChIInChI=1S/C3H10N2O2S/c1-5-3-2-4-8(5,6)7/h4,6-7H,2-3H2,1H3

InChIKeyJTEPFMVPQYBAFA-UHFFFAOYSA-N

MW138.19 g/mol

LogP0.10

Rot. Bonds

About 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine

1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine (PubChem CID 91096968) has the molecular formula C₃H₁₀N₂O₂S and a molecular weight of 138.19 g/mol. Its IUPAC name is 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name	1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine
PubChem CID	91096968
Molecular Formula	C₃H₁₀N₂O₂S
Molecular Weight	138.19 g/mol
Exact Mass	138.05
IUPAC Name	1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine
SMILES	CN1CCNS1(O)O
InChI	InChI=1S/C3H10N2O2S/c1-5-3-2-4-8(5,6)7/h4,6-7H,2-3H2,1H3
InChIKey	JTEPFMVPQYBAFA-UHFFFAOYSA-N
XLogP	0.10
TPSA	55.73 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds
Heavy Atoms	8
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	138.19
LogP ≤ 5	0.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine?

The IUPAC name of 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine (CID 91096968) is 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine.

What is the SMILES notation for 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine?

The canonical SMILES for 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine is CN1CCNS1(O)O.

What is the InChIKey of 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine?

The InChIKey is JTEPFMVPQYBAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S/c1-5-3-2-4-8(5,6)7/h4,6-7H,2-3H2,1H3.

What are the key properties of 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine?

1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine has a molecular weight of 138.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 91096968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 91096968 — identifiers, structure, computed properties (public domain)

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