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88313-08-0 | 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-naphtho[2,1-d]thiazol-2-yl-
CAS No: 88313-08-0 Catalog No: AG0048P7 MDL No:
Product Description
Catalog Number:
AG0048P7
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-naphtho[2,1-d]thiazol-2-yl-
CAS Number:
88313-08-0
Molecular Formula:
C14H11N3S3
Molecular Weight:
317.4522
IUPAC Name:
3-benzo[g][1,3]benzothiazol-2-yl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C14H11N3S3/c18-14-17(7-15-8-19-14)13-16-11-6-5-9-3-1-2-4-10(9)12(11)20-13/h1-6,15H,7-8H2
InChI Key:
GJDZGLVVIQUMSN-UHFFFAOYSA-N
SMILES:
S=C1SCNCN1c1nc2c(s1)c1ccccc1cc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.443g/mol
Monoisotopic Mass:
317.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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