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193065-08-6 | 10H-Phenothiazine-10-propanethiol
CAS No: 193065-08-6 Catalog No: AG0073HB MDL No:
Product Description
Catalog Number:
AG0073HB
Chemical Name:
10H-Phenothiazine-10-propanethiol
CAS Number:
193065-08-6
Molecular Formula:
C15H15NS2
Molecular Weight:
273.4163
IUPAC Name:
3-phenothiazin-10-ylpropane-1-thiol
InChI:
InChI=1S/C15H15NS2/c17-11-5-10-16-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)16/h1-4,6-9,17H,5,10-11H2
InChI Key:
VSGUBZQNHFGUOP-UHFFFAOYSA-N
SMILES:
SCCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.412g/mol
Monoisotopic Mass:
273.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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