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1421456-44-1 | METHYL 4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YLCARBAMATE HYDROC+
CAS No: 1421456-44-1 Catalog No: AG01ARYU MDL No:MFCD24387582
Product Description
Catalog Number:
AG01ARYU
Chemical Name:
METHYL 4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YLCARBAMATE HYDROC+
CAS Number:
1421456-44-1
Molecular Formula:
C8H12ClN3O2S
Molecular Weight:
249.7178
MDL Number:
MFCD24387582
IUPAC Name:
methyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate;hydrochloride
InChI:
InChI=1S/C8H11N3O2S.ClH/c1-13-8(12)11-7-10-5-2-3-9-4-6(5)14-7;/h9H,2-4H2,1H3,(H,10,11,12);1H
InChI Key:
OIFKMHDFSDOTHI-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c(s1)CNCC2.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.713g/mol
Monoisotopic Mass:
249.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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