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193065-09-7 | 10H-Phenothiazine-10-octanethiol
CAS No: 193065-09-7 Catalog No: AG0073HA MDL No:
Product Description
Catalog Number:
AG0073HA
Chemical Name:
10H-Phenothiazine-10-octanethiol
CAS Number:
193065-09-7
Molecular Formula:
C20H25NS2
Molecular Weight:
343.5492
IUPAC Name:
8-phenothiazin-10-yloctane-1-thiol
InChI:
InChI=1S/C20H25NS2/c22-16-10-4-2-1-3-9-15-21-17-11-5-7-13-19(17)23-20-14-8-6-12-18(20)21/h5-8,11-14,22H,1-4,9-10,15-16H2
InChI Key:
JEAYEJKCERETEV-UHFFFAOYSA-N
SMILES:
SCCCCCCCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.547g/mol
Monoisotopic Mass:
343.143g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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