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160137-19-9 | Propanal, 3-(2-benzothiazolylthio)- (9CI)
CAS No: 160137-19-9 Catalog No: AG00B9GL MDL No:MFCD17281183
Product Description
Catalog Number:
AG00B9GL
Chemical Name:
Propanal, 3-(2-benzothiazolylthio)- (9CI)
CAS Number:
160137-19-9
Molecular Formula:
C10H9NOS2
Molecular Weight:
223.3146
MDL Number:
MFCD17281183
IUPAC Name:
3-(1,3-benzothiazol-2-ylsulfanyl)propanal
InChI:
InChI=1S/C10H9NOS2/c12-6-3-7-13-10-11-8-4-1-2-5-9(8)14-10/h1-2,4-6H,3,7H2
InChI Key:
BLWYEHIJXVGBRZ-UHFFFAOYSA-N
SMILES:
O=CCCSc1nc2c(s1)cccc2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.308g/mol
Monoisotopic Mass:
223.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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