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17931-26-9 | Naphtho[2,1-d]thiazole-2(3H)-thione
CAS No: 17931-26-9 Catalog No: AG0026WX MDL No:MFCD24549325
Product Description
Catalog Number:
AG0026WX
Chemical Name:
Naphtho[2,1-d]thiazole-2(3H)-thione
CAS Number:
17931-26-9
Molecular Formula:
C11H7NS2
Molecular Weight:
217.3100
MDL Number:
MFCD24549325
IUPAC Name:
3H-benzo[g][1,3]benzothiazole-2-thione
InChI:
InChI=1S/C11H7NS2/c13-11-12-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-6H,(H,12,13)
InChI Key:
VZBNNNOPGWFPGC-UHFFFAOYSA-N
SMILES:
S=c1sc2c([nH]1)ccc1c2cccc1
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:
3.5
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