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165736-03-8 molecular structure
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(2-phenyl-1,3-thiazol-4-yl)methanamine

ChemBase ID: 24531
Molecular Formular: C10H10N2S
Molecular Mass: 190.2648
Monoisotopic Mass: 190.05646933
SMILES and InChIs

SMILES:
n1c(scc1CN)c1ccccc1
Canonical SMILES:
NCc1csc(n1)c1ccccc1
InChI:
InChI=1S/C10H10N2S/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKey:
PMFCMLGAPHZRTE-UHFFFAOYSA-N

Cite this record

CBID:24531 http://www.chembase.cn/molecule-24531.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-phenyl-1,3-thiazol-4-yl)methanamine
IUPAC Traditional name
(2-phenyl-1,3-thiazol-4-yl)methanamine
Synonyms
[4-(Aminomethyl)-1,3-thiazol-2-yl]benzene
4-(Aminomethyl)-2-phenyl-1,3-thiazole
1-(2-phenyl-1,3-thiazol-4-yl)methanamine
(2-phenyl-1,3-thiazol-4-yl)methanamine
(2-Phenyl-1,3-thiazol-4-yl)methylamine
(2-phenylthiazol-4-yl)methanamine
CAS Number
165736-03-8
MDL Number
MFCD02682055
PubChem SID
160987838
PubChem CID
736526

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7092002  LogD (pH = 7.4) 0.95335394 
Log P 1.8640492  Molar Refractivity 64.3192 cm3
Polarizability 21.754086 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
118-122°C expand Show data source
Hydrophobicity(logP)
1.536 expand Show data source
Storage Warning
Corrosive/Store under Argon/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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