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107112-93-6 molecular structure
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6H,7H-thieno[3,2-c]pyridine

ChemBase ID: 167736
Molecular Formular: C7H7NS
Molecular Mass: 137.20218
Monoisotopic Mass: 137.02992023
SMILES and InChIs

SMILES:
N1=Cc2c(CC1)scc2
Canonical SMILES:
C1N=Cc2c(C1)scc2
InChI:
InChI=1S/C7H7NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4-5H,1,3H2
InChIKey:
NVWLCUBMMDJESN-UHFFFAOYSA-N

Cite this record

CBID:167736 http://www.chembase.cn/molecule-167736.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6H,7H-thieno[3,2-c]pyridine
IUPAC Traditional name
6H,7H-thieno[3,2-c]pyridine
Synonyms
6,7-Dihydro[3,2-c]thienopyridine
6,7-Dihydrothieno[3,2-c]pyridine
CAS Number
107112-93-6
PubChem SID
162261869
PubChem CID
13586615

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D449880 external link Add to cart
PubChem 13586615 external link
Data Source Data ID Price
TRC
D449880 external link Add to cart Please log in.
Data Source Data ID
PubChem 13586615 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7339552  LogD (pH = 7.4) 1.8095217 
Log P 1.8748556  Molar Refractivity 39.9057 cm3
Polarizability 14.414015 Å3 Polar Surface Area 12.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D449880 external link
Used in the synthesis of thieno[3,2-a]quinolizidines and attempts to prepare Papaverine analogs.

REFERENCES

REFERENCES

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  • • Schmid, H., et al.: Helv. Chim. Acta, 32, 960 (1949)
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PATENTS

PATENTS

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INTERNET

INTERNET

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