Home Carboxys methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

CAS No.:
1327366-67-5
Catalog Number:
AG01BD08
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
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Product Description
Catalog Number:
AG01BD08
Chemical Name:
methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CAS Number:
1327366-67-5
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD24618438
IUPAC Name:
methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
InChI:
InChI=1S/C7H6N2O2S/c1-11-7(10)4-2-5-6(9-4)8-3-12-5/h2-3,9H,1H3
InChI Key:
NNMYQMZSIGPQHV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ncs2
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties