Home Other Building Blocks Benzene, 1-(isothiocyanatomethyl)-3-methyl-

Benzene, 1-(isothiocyanatomethyl)-3-methyl-

CAS No.:
3696-66-0
Catalog Number:
AG00C8MQ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C8MQ
Chemical Name:
Benzene, 1-(isothiocyanatomethyl)-3-methyl-
CAS Number:
3696-66-0
MDL Number:
MFCD00060410
IUPAC Name:
1-(isothiocyanatomethyl)-3-methylbenzene
InChI:
InChI=1S/C9H9NS/c1-8-3-2-4-9(5-8)6-10-7-11/h2-5H,6H2,1H3
InChI Key:
NUXFAFWRXGFTQJ-UHFFFAOYSA-N
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties