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89313-69-9 | 2-Propanol, 1,3-bis(2-benzothiazolylthio)-
CAS No: 89313-69-9 Catalog No: AG008731 MDL No:
Product Description
Catalog Number:
AG008731
Chemical Name:
2-Propanol, 1,3-bis(2-benzothiazolylthio)-
CAS Number:
89313-69-9
Molecular Formula:
C17H14N2OS4
Molecular Weight:
390.5659
IUPAC Name:
1,3-bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-ol
InChI:
InChI=1S/C17H14N2OS4/c20-11(9-21-16-18-12-5-1-3-7-14(12)23-16)10-22-17-19-13-6-2-4-8-15(13)24-17/h1-8,11,20H,9-10H2
InChI Key:
POWJHRSLZQMAPH-UHFFFAOYSA-N
SMILES:
OC(CSc1nc2c(s1)cccc2)CSc1nc2c(s1)cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.999g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.552g/mol
Monoisotopic Mass:
389.999g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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