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6931-54-0 | 6-iodo-2-methyl-benzothiazole
CAS No: 6931-54-0 Catalog No: AG0060Z6 MDL No:MFCD00074769
Product Description
Catalog Number:
AG0060Z6
Chemical Name:
6-iodo-2-methyl-benzothiazole
CAS Number:
6931-54-0
Molecular Formula:
C8H6INS
Molecular Weight:
275.1094
MDL Number:
MFCD00074769
IUPAC Name:
6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
InChI:
InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3
InChI Key:
OUXAABAEPHHZPC-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)sc(n2)C
EC Number:
230-055-8
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Composition of seed essential oils of Rhododendron tomentosum. | Natural product communications 20120201 |
| Tandem synthesis of alternating polyesters from renewable resources. | Nature communications 20111213 |
| Laboratory chamber studies on the formation of organosulfates from reactive uptake of monoterpene oxides. | Physical chemistry chemical physics : PCCP 20090928 |
| Characterization of monoterpene biotransformation in two pseudomonads. | Journal of applied microbiology 20081201 |
| Anchoring effects in a wide binding pocket: the molecular basis of regioselectivity in engineered cytochrome P450 monooxygenase from B. megaterium. | Proteins 20081115 |
| Evidence for the existence of organosulfates from beta-pinene ozonolysis in ambient secondary organic aerosol. | Environmental science & technology 20071001 |
| Degradation of alpha-pinene oxide and [2H7]-2,5,6-trimethyl-hept-(2E)-enoic acid by Pseudomonas fluorescens NCIMB 11761. | Journal of biotechnology 20040205 |
| Oxide terpenes as human skin penetration enhancers of haloperidol from ethanol and propylene glycol and their modes of action on stratum corneum. | Biological & pharmaceutical bulletin 20030201 |
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