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19057-92-2 | 9H-Thioxanthen-9-one, 1-[(2-chloroethyl)amino]-4-methyl-
CAS No: 19057-92-2 Catalog No: AG002EN1 MDL No:
Product Description
Catalog Number:
AG002EN1
Chemical Name:
9H-Thioxanthen-9-one, 1-[(2-chloroethyl)amino]-4-methyl-
CAS Number:
19057-92-2
Molecular Formula:
C16H14ClNOS
Molecular Weight:
303.8065
IUPAC Name:
1-(2-chloroethylamino)-4-methylthioxanthen-9-one
InChI:
InChI=1S/C16H14ClNOS/c1-10-6-7-12(18-9-8-17)14-15(19)11-4-2-3-5-13(11)20-16(10)14/h2-7,18H,8-9H2,1H3
InChI Key:
UKPNKWSDCLOCQN-UHFFFAOYSA-N
SMILES:
ClCCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C
NSC Number:
115823
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.804g/mol
Monoisotopic Mass:
303.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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