2-phenyl-2-sulfanylacetamide

C8H9NOS — CID 19419425

IUPAC2-phenyl-2-sulfanylacetamide
SMILESNC(=O)C(S)c1ccccc1
InChIInChI=1S/C8H9NOS/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H2,9,10)
InChIKeyVKHMCMHMKVAQEK-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.14
Rot. Bonds2

About 2-phenyl-2-sulfanylacetamide

2-phenyl-2-sulfanylacetamide (PubChem CID 19419425) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-phenyl-2-sulfanylacetamide.

Molecular Properties

Compound Name2-phenyl-2-sulfanylacetamide
PubChem CID19419425
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name2-phenyl-2-sulfanylacetamide
SMILESNC(=O)C(S)c1ccccc1
InChIInChI=1S/C8H9NOS/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H2,9,10)
InChIKeyVKHMCMHMKVAQEK-UHFFFAOYSA-N
XLogP1.14
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxyphenyl)-2-sulfanylacetamide
CID 173431407
sulfanyl 2-phenyl-2-sulfanylacetate
CID 174405012
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
bis(carbamothioic S-acid);cumene
CID 87644989
CID 172809734
CID 172809734
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
2-(chloroamino)-2-phenylacetamide
CID 89152727
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
(2R)-2-phenyl-2-sulfamoylacetamide
CID 124507731

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-sulfanylacetamide?
The IUPAC name of 2-phenyl-2-sulfanylacetamide (CID 19419425) is 2-phenyl-2-sulfanylacetamide.
What is the SMILES notation for 2-phenyl-2-sulfanylacetamide?
The canonical SMILES for 2-phenyl-2-sulfanylacetamide is NC(=O)C(S)c1ccccc1.
What is the InChIKey of 2-phenyl-2-sulfanylacetamide?
The InChIKey is VKHMCMHMKVAQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H2,9,10).
What are the key properties of 2-phenyl-2-sulfanylacetamide?
2-phenyl-2-sulfanylacetamide has a molecular weight of 167.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-sulfanylacetamide is sourced from PubChem (CID 19419425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).