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Home > Thiazole > 1221792-12-6
1221792-12-6 | 3',4'-dihydro-1'H,3H-spiro[1,3-benzothiazole-2,2'-naphthalene]
CAS No: 1221792-12-6 Catalog No: AG00IRTN MDL No:MFCD16140280
Product Description
Catalog Number:
AG00IRTN
Chemical Name:
3',4'-dihydro-1'H,3H-spiro[1,3-benzothiazole-2,2'-naphthalene]
CAS Number:
1221792-12-6
Molecular Formula:
C16H15NS
Molecular Weight:
253.3620
MDL Number:
MFCD16140280
IUPAC Name:
spiro[2,4-dihydro-1H-naphthalene-3,2'-3H-1,3-benzothiazole]
InChI:
InChI=1S/C16H15NS/c1-2-6-13-11-16(10-9-12(13)5-1)17-14-7-3-4-8-15(14)18-16/h1-8,17H,9-11H2
InChI Key:
OKXSGHYNTIVBRL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CC1(CC2)Nc2c(S1)cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.363g/mol
Monoisotopic Mass:
253.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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