Home Other Building Blocks 4-Chloro-2-methylphenyl isothiocyanate

4-Chloro-2-methylphenyl isothiocyanate

CAS No.:
23165-53-9
Catalog Number:
AG002MG4
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
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Product Description
Catalog Number:
AG002MG4
Chemical Name:
4-Chloro-2-methylphenyl isothiocyanate
CAS Number:
23165-53-9
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00041089
IUPAC Name:
4-chloro-1-isothiocyanato-2-methylbenzene
InChI:
InChI=1S/C8H6ClNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChI Key:
XTYLRVPBHHRTMS-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1C)Cl
EC Number:
245-472-0
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties