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Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide

IUPAC: N-methyl-2-phenylpyrazolidine-1-carbothioamide

C11H15N3S

Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide is a chemical compound with molecular formula C11H15N3S and molecular weight 221.32 g/mol .

What is Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide?

Molecular Formula
C11H15N3S
Molecular Weight
221.32 g/mol

Structure Identifiers

SMILES
CNC(=S)N1CCCN1C2=CC=CC=C2
InChI
InChI=1S/C11H15N3S/c1-12-11(15)14-9-5-8-13(14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,12,15)
InChIKey
OPDPVLVICHOCGM-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
221.0987 Da
XLogP
2.30
TPSA
50.6 Ų
H-Bond Donors
1
H-Bond Acceptors
2
Complexity
226
Formal Charge
0

Safety information

No safety data available for this chemical.

Synonyms (4)

  • AKOS024337615
  • OPDPVLVICHOCGM-UHFFFAOYSA-N
  • N-methyl-2-phenyl-1-pyrazolidinecarbothioamide
  • Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide

Frequently asked questions

What is the IUPAC name of Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide?

The IUPAC name of Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide is N-methyl-2-phenylpyrazolidine-1-carbothioamide.

What is the molecular formula of Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide?

Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide has the molecular formula C11H15N3S and a molecular weight of 221.32 g/mol.

What is the SMILES notation for Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide?

The SMILES notation for Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide is CNC(=S)N1CCCN1C2=CC=CC=C2.

What are other names for Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide?

Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide is also known as AKOS024337615, N-methyl-2-phenyl-1-pyrazolidinecarbothioamide, OPDPVLVICHOCGM-UHFFFAOYSA-N, Pyrazolidine-1-carbothioic acid, 2-phenyl-, methylamide.

Data sourced from PubChem CID 3532791. Last updated .

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