2-methyl-1-sulfanylidene-1,2-thiazolidine

C4H9NS2 — CID 89442146

IUPAC2-methyl-1-sulfanylidene-1,2-thiazolidine
SMILESCN1CCCS1=S
InChIInChI=1S/C4H9NS2/c1-5-3-2-4-7(5)6/h2-4H2,1H3
InChIKeyXBHQSDILYGXOLE-UHFFFAOYSA-N
MW135.26 g/mol
LogP0.32
Rot. Bonds

About 2-methyl-1-sulfanylidene-1,2-thiazolidine

2-methyl-1-sulfanylidene-1,2-thiazolidine (PubChem CID 89442146) has the molecular formula C4H9NS2 and a molecular weight of 135.26 g/mol. Its IUPAC name is 2-methyl-1-sulfanylidene-1,2-thiazolidine.

Molecular Properties

Compound Name2-methyl-1-sulfanylidene-1,2-thiazolidine
PubChem CID89442146
Molecular FormulaC4H9NS2
Molecular Weight135.26 g/mol
Exact Mass135.02
IUPAC Name2-methyl-1-sulfanylidene-1,2-thiazolidine
SMILESCN1CCCS1=S
InChIInChI=1S/C4H9NS2/c1-5-3-2-4-7(5)6/h2-4H2,1H3
InChIKeyXBHQSDILYGXOLE-UHFFFAOYSA-N
XLogP0.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-sulfanylidene-1,2-thiazolidine?
The IUPAC name of 2-methyl-1-sulfanylidene-1,2-thiazolidine (CID 89442146) is 2-methyl-1-sulfanylidene-1,2-thiazolidine.
What is the SMILES notation for 2-methyl-1-sulfanylidene-1,2-thiazolidine?
The canonical SMILES for 2-methyl-1-sulfanylidene-1,2-thiazolidine is CN1CCCS1=S.
What is the InChIKey of 2-methyl-1-sulfanylidene-1,2-thiazolidine?
The InChIKey is XBHQSDILYGXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS2/c1-5-3-2-4-7(5)6/h2-4H2,1H3.
What are the key properties of 2-methyl-1-sulfanylidene-1,2-thiazolidine?
2-methyl-1-sulfanylidene-1,2-thiazolidine has a molecular weight of 135.26 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-sulfanylidene-1,2-thiazolidine is sourced from PubChem (CID 89442146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).