Home > Compound List > Compound details
433688-29-0 molecular structure
click picture or here to close

2-acetamido-4H,5H-naphtho[1,2-b]thiophene-3-carboxylic acid

ChemBase ID: 311824
Molecular Formular: C15H13NO3S
Molecular Mass: 287.33362
Monoisotopic Mass: 287.06161428
SMILES and InChIs

SMILES:
c1(c(sc2c1CCc1c2cccc1)NC(=O)C)C(=O)O
Canonical SMILES:
CC(=O)Nc1sc2c(c1C(=O)O)CCc1c2cccc1
InChI:
InChI=1S/C15H13NO3S/c1-8(17)16-14-12(15(18)19)11-7-6-9-4-2-3-5-10(9)13(11)20-14/h2-5H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKey:
QIZWGQLNBLLONN-UHFFFAOYSA-N

Cite this record

CBID:311824 http://www.chembase.cn/molecule-311824.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-acetamido-4H,5H-naphtho[1,2-b]thiophene-3-carboxylic acid
IUPAC Traditional name
2-acetamido-4H,5H-naphtho[1,2-b]thiophene-3-carboxylic acid
Synonyms
2-(acetylamino)-4,5-dihydronaphtho[1,2-b]thiophene-3-carboxylic acid
CAS Number
433688-29-0
MDL Number
MFCD03192756

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 6960351 external link Add to cart
Data Source Data ID Price
ChemBridge
6960351 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9084913  LogD (pH = 7.4) 0.38158303 
Log P 3.6720254  Molar Refractivity 77.6434 cm3
Polarizability 29.957266 Å3 Polar Surface Area 66.4 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle