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848555-18-0 | 2-Isopropylthiazole-4-carbonitrile
CAS No: 848555-18-0 Catalog No: AG004QNP MDL No:MFCD16877899
Product Description
Catalog Number:
AG004QNP
Chemical Name:
2-Isopropylthiazole-4-carbonitrile
CAS Number:
848555-18-0
Molecular Formula:
C7H8N2S
Molecular Weight:
152.2168
MDL Number:
MFCD16877899
IUPAC Name:
2-propan-2-yl-1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C7H8N2S/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,1-2H3
InChI Key:
RAJHEWSVOUIBNC-UHFFFAOYSA-N
SMILES:
N#Cc1csc(n1)C(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.215g/mol
Monoisotopic Mass:
152.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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