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Home > Thiazole > 1105194-23-7
1105194-23-7 | [3-(1,3-BENZOTHIAZOL-2-YL)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]+
CAS No: 1105194-23-7 Catalog No: AG01ARWX MDL No:MFCD11986727
Product Description
Catalog Number:
AG01ARWX
Chemical Name:
[3-(1,3-BENZOTHIAZOL-2-YL)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]+
CAS Number:
1105194-23-7
Molecular Formula:
C16H16N2S2
Molecular Weight:
300.4416
MDL Number:
MFCD11986727
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
InChI:
InChI=1S/C16H16N2S2/c1-9-6-7-10-13(8-9)19-15(17)14(10)16-18-11-4-2-3-5-12(11)20-16/h2-5,9H,6-8,17H2,1H3
InChI Key:
NFNOXYZUWXRCNE-UHFFFAOYSA-N
SMILES:
CC1CCc2c(C1)sc(c2c1nc2c(s1)cccc2)N
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.438g/mol
Monoisotopic Mass:
300.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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