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2253-73-8 | Isopropyl Isothiocyanate
CAS No: 2253-73-8 Catalog No: AG003R50 MDL No:MFCD00037830
Product Description
Catalog Number:
AG003R50
Chemical Name:
Isopropyl Isothiocyanate
CAS Number:
2253-73-8
Molecular Formula:
C4H7NS
Molecular Weight:
101.1701
MDL Number:
MFCD00037830
IUPAC Name:
2-isothiocyanatopropane
InChI:
InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
InChI Key:
VHBFEIBMZHEWSX-UHFFFAOYSA-N
SMILES:
CC(N=C=S)C
EC Number:
218-851-3
UNII:
46561PKP9T
FEMA Number:
4425
Properties
Complexity:
71.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.03g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.167g/mol
Monoisotopic Mass:
101.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Biodegradation of buprofezin by Rhodococcus sp. strain YL-1 isolated from rice field soil. | Journal of agricultural and food chemistry 20120314 |
| Carbene-mediated transformations of 1-(benzylideneamino)benzimidazoles. | The Journal of organic chemistry 20110520 |
| Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity. | Chemistry & biodiversity 20100801 |
| Herbal compounds and toxins modulating TRP channels. | Current neuropharmacology 20080301 |
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