Home Other Building Blocks 3-METHYLBENZYL ISOTHIOCYANATE

3-METHYLBENZYL ISOTHIOCYANATE

CAS No.:
28115-86-8
Catalog Number:
AG00C23Y
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C23Y
Chemical Name:
3-METHYLBENZYL ISOTHIOCYANATE
CAS Number:
28115-86-8
MDL Number:
MFCD00060378
IUPAC Name:
3-methylbenzoyl isothiocyanate
InChI:
InChI=1S/C9H7NOS/c1-7-3-2-4-8(5-7)9(11)10-6-12/h2-5H,1H3
InChI Key:
DXKOLJYVHYILGA-UHFFFAOYSA-N
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties