4-methylthiadiazolidine

C3H8N2S — CID 90196713

IUPAC4-methylthiadiazolidine
SMILESCC1CSNN1
InChIInChI=1S/C3H8N2S/c1-3-2-6-5-4-3/h3-5H,2H2,1H3
InChIKeyHVYYIIUKSCLBMN-UHFFFAOYSA-N
MW104.18 g/mol
LogP0.13
Rot. Bonds

About 4-methylthiadiazolidine

4-methylthiadiazolidine (PubChem CID 90196713) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is 4-methylthiadiazolidine.

Molecular Properties

Compound Name4-methylthiadiazolidine
PubChem CID90196713
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Name4-methylthiadiazolidine
SMILESCC1CSNN1
InChIInChI=1S/C3H8N2S/c1-3-2-6-5-4-3/h3-5H,2H2,1H3
InChIKeyHVYYIIUKSCLBMN-UHFFFAOYSA-N
XLogP0.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.13
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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Related Compounds

2-Hydrazinylpropane-1-thiol
CID 12731764
Thiadiazolidine
CID 21887071
2-Methylthiadiazolidine
CID 57052603
2-Butylthiadiazolidine
CID 57164517
2-Methylthiadiazolidine;hydroiodide
CID 69586598
(2R)-2-hydrazinylpropane-1-thiol
CID 89010992
(5R)-5-methylthiadiazolidine
CID 89109766
(4S)-4-methylthiadiazolidine
CID 89136214
4-Ethylthiadiazolidine
CID 118913370
[(2S)-2-hydrazinylpropyl] thiohypoiodite
CID 132185206
4,5-Dimethylthiadiazolidine
CID 134377603
(5R)-4,5-dimethylthiadiazolidine
CID 134377797

Frequently Asked Questions

What is the IUPAC name of 4-methylthiadiazolidine?
The IUPAC name of 4-methylthiadiazolidine (CID 90196713) is 4-methylthiadiazolidine.
What is the SMILES notation for 4-methylthiadiazolidine?
The canonical SMILES for 4-methylthiadiazolidine is CC1CSNN1.
What is the InChIKey of 4-methylthiadiazolidine?
The InChIKey is HVYYIIUKSCLBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c1-3-2-6-5-4-3/h3-5H,2H2,1H3.
What are the key properties of 4-methylthiadiazolidine?
4-methylthiadiazolidine has a molecular weight of 104.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiadiazolidine is sourced from PubChem (CID 90196713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).