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68524-30-1 molecular structure
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2-[(diphenylmethyl)sulfanyl]acetamide

ChemBase ID: 90646
Molecular Formular: C15H15NOS
Molecular Mass: 257.3507
Monoisotopic Mass: 257.08743511
SMILES and InChIs

SMILES:
S(C(c1ccccc1)c1ccccc1)CC(=O)N
Canonical SMILES:
NC(=O)CSC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKey:
HCRQRIFRHGPWBH-UHFFFAOYSA-N

Cite this record

CBID:90646 http://www.chembase.cn/molecule-90646.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(diphenylmethyl)sulfanyl]acetamide
IUPAC Traditional name
2-[(diphenylmethyl)sulfanyl]acetamide
Synonyms
2-[(Diphenylmethyl)sulphanyl]acetamide
2-(Benzhydrylsulphanyl)acetamide
2-(Benzhydrylthio)acetamide
CAS Number
68524-30-1
PubChem SID
162077425
PubChem CID
9965017

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR61208 external link Add to cart Please log in.
Data Source Data ID
PubChem 9965017 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.279915  H Acceptors
H Donor LogD (pH = 5.5) 2.8844438 
LogD (pH = 7.4) 2.8844438  Log P 2.8844438 
Molar Refractivity 75.9399 cm3 Polarizability 29.738739 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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