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209396-41-8 | 1,3,4-Thiadiazol-2-amine, 5-(10H-phenothiazin-10-ylmethyl)-
CAS No: 209396-41-8 Catalog No: AG002K79 MDL No:
Product Description
Catalog Number:
AG002K79
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-(10H-phenothiazin-10-ylmethyl)-
CAS Number:
209396-41-8
Molecular Formula:
C15H12N4S2
Molecular Weight:
312.4126
IUPAC Name:
5-(phenothiazin-10-ylmethyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C15H12N4S2/c16-15-18-17-14(21-15)9-19-10-5-1-3-7-12(10)20-13-8-4-2-6-11(13)19/h1-8H,9H2,(H2,16,18)
InChI Key:
WEFRDQKMJNVIHX-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)CN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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