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3432-25-5 | Dimethyldithiocarbamic acid benzothiazole-2-yl ester
CAS No: 3432-25-5 Catalog No: AG00CUZM MDL No:
Product Description
Catalog Number:
AG00CUZM
Chemical Name:
Dimethyldithiocarbamic acid benzothiazole-2-yl ester
CAS Number:
3432-25-5
IUPAC Name:
1,3-benzothiazol-2-yl N,N-dimethylcarbamodithioate
InChI:
InChI=1S/C10H10N2S3/c1-12(2)10(13)15-9-11-7-5-3-4-6-8(7)14-9/h3-6H,1-2H3
InChI Key:
DQXSUEZFMYQFSC-UHFFFAOYSA-N
UNII:
FOO2R88VZU
NSC Number:
65288
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.384g/mol
Monoisotopic Mass:
254.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Structure elucidation of an artifact discharging from rubber-based vial closures by means of gas chromatography/tandem mass spectrometry. | Analytical chemistry 20061201 |
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