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37060-74-5 molecular structure
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4-(chloromethyl)-N-methyl-1,3-thiazol-2-amine

ChemBase ID: 308913
Molecular Formular: C5H7ClN2S
Molecular Mass: 162.64048
Monoisotopic Mass: 162.00184691
SMILES and InChIs

SMILES:
n1c(scc1CCl)NC
Canonical SMILES:
CNc1scc(n1)CCl
InChI:
InChI=1S/C5H7ClN2S/c1-7-5-8-4(2-6)3-9-5/h3H,2H2,1H3,(H,7,8)
InChIKey:
YSYILILRFKOSMG-UHFFFAOYSA-N

Cite this record

CBID:308913 http://www.chembase.cn/molecule-308913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
IUPAC Traditional name
4-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
Synonyms
4-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
CAS Number
37060-74-5
MDL Number
MFCD14702857

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4552302  LogD (pH = 7.4) 1.4577485 
Log P 1.4577807  Molar Refractivity 40.2782 cm3
Polarizability 14.826656 Å3 Polar Surface Area 24.92 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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