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19967-75-0 | 3(2H)-Benzothiazoleethanethiol
CAS No: 19967-75-0 Catalog No: AG002C9Z MDL No:
Product Description
Catalog Number:
AG002C9Z
Chemical Name:
3(2H)-Benzothiazoleethanethiol
CAS Number:
19967-75-0
Molecular Formula:
C9H11NS2
Molecular Weight:
197.3203
IUPAC Name:
2-(2H-1,3-benzothiazol-3-yl)ethanethiol
InChI:
InChI=1S/C9H11NS2/c11-6-5-10-7-12-9-4-2-1-3-8(9)10/h1-4,11H,5-7H2
InChI Key:
HVYDWJHEMIAHDY-UHFFFAOYSA-N
SMILES:
SCCN1CSc2c1cccc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.314g/mol
Monoisotopic Mass:
197.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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