N-[4-(methanethioylamino)phenyl]ethanethioamide

C9H10N2S2 — CID 166841139

IUPACN-[4-(methanethioylamino)phenyl]ethanethioamide
SMILESCC(=S)Nc1ccc(NC=S)cc1
InChIInChI=1S/C9H10N2S2/c1-7(13)11-9-4-2-8(3-5-9)10-6-12/h2-6H,1H3,(H,10,12)(H,11,13)
InChIKeyGCMYASKXIUFSQX-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.81
Rot. Bonds3

About N-[4-(methanethioylamino)phenyl]ethanethioamide

N-[4-(methanethioylamino)phenyl]ethanethioamide (PubChem CID 166841139) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is N-[4-(methanethioylamino)phenyl]ethanethioamide.

Molecular Properties

Compound NameN-[4-(methanethioylamino)phenyl]ethanethioamide
PubChem CID166841139
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC NameN-[4-(methanethioylamino)phenyl]ethanethioamide
SMILESCC(=S)Nc1ccc(NC=S)cc1
InChIInChI=1S/C9H10N2S2/c1-7(13)11-9-4-2-8(3-5-9)10-6-12/h2-6H,1H3,(H,10,12)(H,11,13)
InChIKeyGCMYASKXIUFSQX-UHFFFAOYSA-N
XLogP2.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.81
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-[4-(methanethioylamino)phenyl]ethanethioamide?
The IUPAC name of N-[4-(methanethioylamino)phenyl]ethanethioamide (CID 166841139) is N-[4-(methanethioylamino)phenyl]ethanethioamide.
What is the SMILES notation for N-[4-(methanethioylamino)phenyl]ethanethioamide?
The canonical SMILES for N-[4-(methanethioylamino)phenyl]ethanethioamide is CC(=S)Nc1ccc(NC=S)cc1.
What is the InChIKey of N-[4-(methanethioylamino)phenyl]ethanethioamide?
The InChIKey is GCMYASKXIUFSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-7(13)11-9-4-2-8(3-5-9)10-6-12/h2-6H,1H3,(H,10,12)(H,11,13).
What are the key properties of N-[4-(methanethioylamino)phenyl]ethanethioamide?
N-[4-(methanethioylamino)phenyl]ethanethioamide has a molecular weight of 210.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanethioylamino)phenyl]ethanethioamide is sourced from PubChem (CID 166841139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).