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118090-09-8 | 2-Benzothiazolethiol(9CI)
CAS No: 118090-09-8 Catalog No: AG009KHV MDL No:MFCD00005781
Product Description
Catalog Number:
AG009KHV
Chemical Name:
2-Benzothiazolethiol(9CI)
CAS Number:
118090-09-8
MDL Number:
MFCD00005781
IUPAC Name:
3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChI Key:
YXIWHUQXZSMYRE-UHFFFAOYSA-N
EC Number:
205-736-8
UNII:
5RLR54Z22K
NSC Number:
2041
RTECS Number:
DL6475000
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.244g/mol
Monoisotopic Mass:
166.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
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