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1017185-91-9 molecular structure
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2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

ChemBase ID: 308751
Molecular Formular: C7H12N2S
Molecular Mass: 156.24858
Monoisotopic Mass: 156.07211939
SMILES and InChIs

SMILES:
c1(nc(cs1)C)C(CN)C
Canonical SMILES:
CC(c1nc(cs1)C)CN
InChI:
InChI=1S/C7H12N2S/c1-5(3-8)7-9-6(2)4-10-7/h4-5H,3,8H2,1-2H3
InChIKey:
VFPDFRBRTYGSRB-UHFFFAOYSA-N

Cite this record

CBID:308751 http://www.chembase.cn/molecule-308751.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
IUPAC Traditional name
2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
Synonyms
2-(4-methyl-1,3-thiazol-2-yl)-1-propanamine
CAS Number
1017185-91-9
MDL Number
MFCD09891726

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) -2.2411046  LogD (pH = 7.4) -1.262758 
Log P 0.74234265  Molar Refractivity 42.9322 cm3
Polarizability 16.829138 Å3 Polar Surface Area 38.91 Å2
H Acceptors H Donor

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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