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104163-34-0 molecular structure
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(5-methylthiophen-2-yl)methanamine

ChemBase ID: 259127
Molecular Formular: C6H9NS
Molecular Mass: 127.20736
Monoisotopic Mass: 127.04557029
SMILES and InChIs

SMILES:
s1c(ccc1C)CN
Canonical SMILES:
Cc1ccc(s1)CN
InChI:
InChI=1S/C6H9NS/c1-5-2-3-6(4-7)8-5/h2-3H,4,7H2,1H3
InChIKey:
XCBYYXLOEBELSB-UHFFFAOYSA-N

Cite this record

CBID:259127 http://www.chembase.cn/molecule-259127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-methylthiophen-2-yl)methanamine
IUPAC Traditional name
(5-methylthiophen-2-yl)methanamine
Synonyms
(5-methylthiophen-2-yl)methanamine
1-(5-methyl-2-thienyl)methanamine
5-METHYLTHIOPHEN-2-YLMETHYLAMINE
CAS Number
104163-34-0
MDL Number
MFCD00965306
PubChem SID
164315037
PubChem CID
4313442

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4313442 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2637534  LogD (pH = 7.4) 0.0010358741 
Log P 1.6577564  Molar Refractivity 36.4776 cm3
Polarizability 14.102385 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.239 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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