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95-33-0 | N-Cyclohexyl-2-benzothiazolylsulfenamide , 95%
CAS No: 95-33-0 Catalog No: AG003SX0 MDL No:MFCD00022872
Product Description
Catalog Number:
AG003SX0
Chemical Name:
N-Cyclohexyl-2-benzothiazolylsulfenamide , 95%
CAS Number:
95-33-0
Molecular Formula:
C13H16N2S2
Molecular Weight:
264.4095
MDL Number:
MFCD00022872
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
InChI:
InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
InChI Key:
DEQZTKGFXNUBJL-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NSc1nc2c(s1)cccc2
EC Number:
202-411-2
UNII:
UCA53G94EV
NSC Number:
4809
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.405g/mol
Monoisotopic Mass:
264.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Identification of benzothiazole derivatives and polycyclic aromatic hydrocarbons as aryl hydrocarbon receptor agonists present in tire extracts. | Environmental toxicology and chemistry 20110801 |
| Screening study for repeated dose and reproductive/developmental toxicity of rubber accelerator, N,N-dicyclohexyl-2-benzothiazolesulfenamide, in rats. | Drug and chemical toxicology 20070101 |
| Development and application of an LC-MS method to determine possible migration of mercaptobenzothiazole, benzothiazole and related vulcanization residues from rubber used in contact with food and drink. | Food additives and contaminants 20030201 |
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