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13331-30-1 | Naphtho[2,3-d]thiazole-2(3H)-thione
CAS No: 13331-30-1 Catalog No: AG0014LT MDL No:
Product Description
Catalog Number:
AG0014LT
Chemical Name:
Naphtho[2,3-d]thiazole-2(3H)-thione
CAS Number:
13331-30-1
Molecular Formula:
C11H7NS2
Molecular Weight:
217.3100
IUPAC Name:
3H-benzo[f][1,3]benzothiazole-2-thione
InChI:
InChI=1S/C11H7NS2/c13-11-12-9-5-7-3-1-2-4-8(7)6-10(9)14-11/h1-6H,(H,12,13)
InChI Key:
IHUDAVOKNKHDNA-UHFFFAOYSA-N
SMILES:
S=c1sc2c([nH]1)cc1c(c2)cccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.304g/mol
Monoisotopic Mass:
217.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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