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24666-11-3 | 3(2H)-Benzothiazolepropanethiol
CAS No: 24666-11-3 Catalog No: AG002OYU MDL No:
Product Description
Catalog Number:
AG002OYU
Chemical Name:
3(2H)-Benzothiazolepropanethiol
CAS Number:
24666-11-3
Molecular Formula:
C10H13NS2
Molecular Weight:
211.3469
IUPAC Name:
3-(2H-1,3-benzothiazol-3-yl)propane-1-thiol
InChI:
InChI=1S/C10H13NS2/c12-7-3-6-11-8-13-10-5-2-1-4-9(10)11/h1-2,4-5,12H,3,6-8H2
InChI Key:
FXVLGFJDHSEVTE-UHFFFAOYSA-N
SMILES:
SCCCN1CSc2c1cccc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.341g/mol
Monoisotopic Mass:
211.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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