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13182-59-7 | Quinazoline, 4-(methylthio)-
CAS No: 13182-59-7 Catalog No: AG000ZSH MDL No:
Product Description
Catalog Number:
AG000ZSH
Chemical Name:
Quinazoline, 4-(methylthio)-
CAS Number:
13182-59-7
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
IUPAC Name:
4-methylsulfanylquinazoline
InChI:
InChI=1S/C9H8N2S/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6H,1H3
InChI Key:
COABNVNLVJLMAS-UHFFFAOYSA-N
SMILES:
CSc1ncnc2c1cccc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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