N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide

C10H11N3S2 — CID 3005452

IUPACN-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide
SMILESS=C1NCCN1C(=S)Nc1ccccc1
InChIInChI=1S/C10H11N3S2/c14-9-11-6-7-13(9)10(15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,15)
InChIKeyNDCHBIWASCMKRO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.57
Rot. Bonds1

About N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide

N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide (PubChem CID 3005452) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide.

Molecular Properties

Compound NameN-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide
PubChem CID3005452
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC NameN-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide
SMILESS=C1NCCN1C(=S)Nc1ccccc1
InChIInChI=1S/C10H11N3S2/c14-9-11-6-7-13(9)10(15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,15)
InChIKeyNDCHBIWASCMKRO-UHFFFAOYSA-N
XLogP1.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide?
The IUPAC name of N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide (CID 3005452) is N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide.
What is the SMILES notation for N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide?
The canonical SMILES for N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide is S=C1NCCN1C(=S)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide?
The InChIKey is NDCHBIWASCMKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c14-9-11-6-7-13(9)10(15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,15).
What are the key properties of N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide?
N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide has a molecular weight of 237.35 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-sulfanylideneimidazolidine-1-carbothioamide is sourced from PubChem (CID 3005452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).