N-(5-phenyldithiol-3-ylidene)acetamide

C11H9NOS2 — CID 86167546

IUPACN-(5-phenyldithiol-3-ylidene)acetamide
SMILESCC(=O)/N=c1/cc(-c2ccccc2)ss1
InChIInChI=1S/C11H9NOS2/c1-8(13)12-11-7-10(14-15-11)9-5-3-2-4-6-9/h2-7H,1H3/b12-11-
InChIKeyVZTWGYUYOSFPRG-QXMHVHEDSA-N
MW235.33 g/mol
LogP2.92
Rot. Bonds1

About N-(5-phenyldithiol-3-ylidene)acetamide

N-(5-phenyldithiol-3-ylidene)acetamide (PubChem CID 86167546) has the molecular formula C11H9NOS2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(5-phenyldithiol-3-ylidene)acetamide.

Molecular Properties

Compound NameN-(5-phenyldithiol-3-ylidene)acetamide
PubChem CID86167546
Molecular FormulaC11H9NOS2
Molecular Weight235.33 g/mol
Exact Mass235.01
IUPAC NameN-(5-phenyldithiol-3-ylidene)acetamide
SMILESCC(=O)/N=c1/cc(-c2ccccc2)ss1
InChIInChI=1S/C11H9NOS2/c1-8(13)12-11-7-10(14-15-11)9-5-3-2-4-6-9/h2-7H,1H3/b12-11-
InChIKeyVZTWGYUYOSFPRG-QXMHVHEDSA-N
XLogP2.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyldithiol-3-ylidene)acetamide?
The IUPAC name of N-(5-phenyldithiol-3-ylidene)acetamide (CID 86167546) is N-(5-phenyldithiol-3-ylidene)acetamide.
What is the SMILES notation for N-(5-phenyldithiol-3-ylidene)acetamide?
The canonical SMILES for N-(5-phenyldithiol-3-ylidene)acetamide is CC(=O)/N=c1/cc(-c2ccccc2)ss1.
What is the InChIKey of N-(5-phenyldithiol-3-ylidene)acetamide?
The InChIKey is VZTWGYUYOSFPRG-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H9NOS2/c1-8(13)12-11-7-10(14-15-11)9-5-3-2-4-6-9/h2-7H,1H3/b12-11-.
What are the key properties of N-(5-phenyldithiol-3-ylidene)acetamide?
N-(5-phenyldithiol-3-ylidene)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyldithiol-3-ylidene)acetamide is sourced from PubChem (CID 86167546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).