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78160-12-0 | 9H-Thioxanthen-9-one,2-amino-7-methyl-
CAS No: 78160-12-0 Catalog No: AG0054T0 MDL No:MFCD04117780
Product Description
Catalog Number:
AG0054T0
Chemical Name:
9H-Thioxanthen-9-one,2-amino-7-methyl-
CAS Number:
78160-12-0
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
MDL Number:
MFCD04117780
IUPAC Name:
2-amino-7-methylthioxanthen-9-one
InChI:
InChI=1S/C14H11NOS/c1-8-2-4-12-10(6-8)14(16)11-7-9(15)3-5-13(11)17-12/h2-7H,15H2,1H3
InChI Key:
VVQULFWWOHEBQC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)c1c(s2)ccc(c1)N
NSC Number:
354084
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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