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92503-61-2 molecular structure
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4-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride

ChemBase ID: 250319
Molecular Formular: C8H12ClNS
Molecular Mass: 189.70558
Monoisotopic Mass: 189.03789807
SMILES and InChIs

SMILES:
c12c(scc1)CCNC2C.Cl
Canonical SMILES:
CC1NCCc2c1ccs2.Cl
InChI:
InChI=1S/C8H11NS.ClH/c1-6-7-3-5-10-8(7)2-4-9-6;/h3,5-6,9H,2,4H2,1H3;1H
InChIKey:
UFHWWJHTDFGPPS-UHFFFAOYSA-N

Cite this record

CBID:250319 http://www.chembase.cn/molecule-250319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride
IUPAC Traditional name
4-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride
Synonyms
4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride
CAS Number
92503-61-2
MDL Number
MFCD07345588
PubChem SID
164306229
PubChem CID
16255107

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14595 external link Add to cart Please log in.
Data Source Data ID
PubChem 16255107 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1717463  LogD (pH = 7.4) 0.2396437 
Log P 1.9009396  Molar Refractivity 44.0347 cm3
Polarizability 17.054207 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
264 - 266°C expand Show data source
Hydrophobicity(logP)
1.76 expand Show data source
Purity
95% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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