5-methyl-2-sulfanylthiadiazolidine-4-thione

C3H6N2S3 — CID 89252133

IUPAC5-methyl-2-sulfanylthiadiazolidine-4-thione
SMILESCC1SN(S)NC1=S
InChIInChI=1S/C3H6N2S3/c1-2-3(6)4-5(7)8-2/h2,7H,1H3,(H,4,6)
InChIKeyLPTOBHIAYJEGBJ-UHFFFAOYSA-N
MW166.30 g/mol
LogP1.02
Rot. Bonds

About 5-methyl-2-sulfanylthiadiazolidine-4-thione

5-methyl-2-sulfanylthiadiazolidine-4-thione (PubChem CID 89252133) has the molecular formula C3H6N2S3 and a molecular weight of 166.30 g/mol. Its IUPAC name is 5-methyl-2-sulfanylthiadiazolidine-4-thione.

Molecular Properties

Compound Name5-methyl-2-sulfanylthiadiazolidine-4-thione
PubChem CID89252133
Molecular FormulaC3H6N2S3
Molecular Weight166.30 g/mol
Exact Mass165.97
IUPAC Name5-methyl-2-sulfanylthiadiazolidine-4-thione
SMILESCC1SN(S)NC1=S
InChIInChI=1S/C3H6N2S3/c1-2-3(6)4-5(7)8-2/h2,7H,1H3,(H,4,6)
InChIKeyLPTOBHIAYJEGBJ-UHFFFAOYSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1,3-thiazolidine-2,4-dithione
CID 71323977
2-methyl-4H-1,4-benzothiazine-3-thione
CID 84614586
(2S)-2-methylthiomorpholine-3-thione
CID 139962054
5-hydroxy-4-sulfanyl-1,3,4-thiadiazolidine-2-thione
CID 88667674
5-methyl-3-(3-methylbut-2-enyl)-2-sulfanylideneimidazolidin-4-one
CID 130727468
5-methyl-1,3,4-thiadiazolidine-2-thione
CID 57451776
3-methyl-1,3-dihydropyrrole-2-thione
CID 134333439
5-methyl-4-sulfanylidene-1,3-thiazinan-2-one
CID 130009696
6-methylpiperazine-2-thione
CID 72658874
5-methyl-1-sulfanylimidazolidine-2,4-dione
CID 141156272
4-sulfanyl-1,2,4-thiadiazolidine-3-thione
CID 87211841
4-methylcyclohexa-2,5-diene-1-thione
CID 129294481

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-sulfanylthiadiazolidine-4-thione?
The IUPAC name of 5-methyl-2-sulfanylthiadiazolidine-4-thione (CID 89252133) is 5-methyl-2-sulfanylthiadiazolidine-4-thione.
What is the SMILES notation for 5-methyl-2-sulfanylthiadiazolidine-4-thione?
The canonical SMILES for 5-methyl-2-sulfanylthiadiazolidine-4-thione is CC1SN(S)NC1=S.
What is the InChIKey of 5-methyl-2-sulfanylthiadiazolidine-4-thione?
The InChIKey is LPTOBHIAYJEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S3/c1-2-3(6)4-5(7)8-2/h2,7H,1H3,(H,4,6).
What are the key properties of 5-methyl-2-sulfanylthiadiazolidine-4-thione?
5-methyl-2-sulfanylthiadiazolidine-4-thione has a molecular weight of 166.30 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-sulfanylthiadiazolidine-4-thione is sourced from PubChem (CID 89252133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).