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19967-73-8 | 3-Benzothiazolineethanethiol,-alpha--methyl-(8CI)
CAS No: 19967-73-8 Catalog No: AG00BLL7 MDL No:
Product Description
Catalog Number:
AG00BLL7
Chemical Name:
3-Benzothiazolineethanethiol,-alpha--methyl-(8CI)
CAS Number:
19967-73-8
IUPAC Name:
1-(2H-1,3-benzothiazol-3-yl)propane-2-thiol
InChI:
InChI=1S/C10H13NS2/c1-8(12)6-11-7-13-10-5-3-2-4-9(10)11/h2-5,8,12H,6-7H2,1H3
InChI Key:
FURLAHNSRMKDTI-UHFFFAOYSA-N
Properties
Complexity:
174
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:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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