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99970-41-9 | 10H-Phenothiazine-2-thiol
CAS No: 99970-41-9 Catalog No: AG003VIC MDL No:
Product Description
Catalog Number:
AG003VIC
Chemical Name:
10H-Phenothiazine-2-thiol
CAS Number:
99970-41-9
Molecular Formula:
C12H9NS2
Molecular Weight:
231.3366
IUPAC Name:
10H-phenothiazine-2-thiol
InChI:
InChI=1S/C12H9NS2/c14-8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)15-12/h1-7,13-14H
InChI Key:
IOAMEGIEDDLSFG-UHFFFAOYSA-N
SMILES:
Sc1ccc2c(c1)Nc1c(S2)cccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.331g/mol
Monoisotopic Mass:
231.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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