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4891-66-1 | Tolylene-2,4-diisothiocyanate
CAS No: 4891-66-1 Catalog No: AG003UU8 MDL No:
Product Description
Catalog Number:
AG003UU8
Chemical Name:
Tolylene-2,4-diisothiocyanate
CAS Number:
4891-66-1
IUPAC Name:
2,4-diisothiocyanato-1-methylbenzene
InChI:
InChI=1S/C9H6N2S2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
InChI Key:
NNMVCFPMIBOZCL-UHFFFAOYSA-N
NSC Number:
511742
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.281g/mol
Monoisotopic Mass:
205.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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