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4979-32-2 | 2-Benzothiazolesulfenamide, N,N-dicyclohexyl-
CAS No: 4979-32-2 Catalog No: AG00I8W7 MDL No:MFCD00236063
Product Description
Catalog Number:
AG00I8W7
Chemical Name:
2-Benzothiazolesulfenamide, N,N-dicyclohexyl-
CAS Number:
4979-32-2
Molecular Formula:
C19H26N2S2
Molecular Weight:
346.5531
MDL Number:
MFCD00236063
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylcyclohexanamine
InChI:
InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2
InChI Key:
CMAUJSNXENPPOF-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2
EC Number:
225-625-8
UNII:
5OBS6299M8
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.154g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.551g/mol
Monoisotopic Mass:
346.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Two-generation reproductive toxicity study of the rubber accelerator N,N-dicyclohexyl-2-benzothiazolesulfenamide in rats. | Reproductive toxicology (Elmsford, N.Y.) 20080101 |
| Evaluation of reproductive and developmental toxicity of the rubber accelerator N,N-dicyclohexyl-2-benzothiazolesulfenamide in rats. | Congenital anomalies 20071201 |
| Screening study for repeated dose and reproductive/developmental toxicity of rubber accelerator, N,N-dicyclohexyl-2-benzothiazolesulfenamide, in rats. | Drug and chemical toxicology 20070101 |
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