2-chloro-3-methyl-1,2,4-thiadiazolidine

C3H7ClN2S — CID 18999105

IUPAC2-chloro-3-methyl-1,2,4-thiadiazolidine
SMILESCC1NCSN1Cl
InChIInChI=1S/C3H7ClN2S/c1-3-5-2-7-6(3)4/h3,5H,2H2,1H3
InChIKeyVCJXYTFNUAJISI-UHFFFAOYSA-N
MW138.62 g/mol
LogP1.00
Rot. Bonds

About 2-chloro-3-methyl-1,2,4-thiadiazolidine

2-chloro-3-methyl-1,2,4-thiadiazolidine (PubChem CID 18999105) has the molecular formula C3H7ClN2S and a molecular weight of 138.62 g/mol. Its IUPAC name is 2-chloro-3-methyl-1,2,4-thiadiazolidine.

Molecular Properties

Compound Name2-chloro-3-methyl-1,2,4-thiadiazolidine
PubChem CID18999105
Molecular FormulaC3H7ClN2S
Molecular Weight138.62 g/mol
Exact Mass138.00
IUPAC Name2-chloro-3-methyl-1,2,4-thiadiazolidine
SMILESCC1NCSN1Cl
InChIInChI=1S/C3H7ClN2S/c1-3-5-2-7-6(3)4/h3,5H,2H2,1H3
InChIKeyVCJXYTFNUAJISI-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.62
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-1,2,4-thiadiazolidine?
The IUPAC name of 2-chloro-3-methyl-1,2,4-thiadiazolidine (CID 18999105) is 2-chloro-3-methyl-1,2,4-thiadiazolidine.
What is the SMILES notation for 2-chloro-3-methyl-1,2,4-thiadiazolidine?
The canonical SMILES for 2-chloro-3-methyl-1,2,4-thiadiazolidine is CC1NCSN1Cl.
What is the InChIKey of 2-chloro-3-methyl-1,2,4-thiadiazolidine?
The InChIKey is VCJXYTFNUAJISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClN2S/c1-3-5-2-7-6(3)4/h3,5H,2H2,1H3.
What are the key properties of 2-chloro-3-methyl-1,2,4-thiadiazolidine?
2-chloro-3-methyl-1,2,4-thiadiazolidine has a molecular weight of 138.62 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-1,2,4-thiadiazolidine is sourced from PubChem (CID 18999105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).