Home Other Building Blocks Benzene, 1-isocyanato-3-(methylthio)-

Benzene, 1-isocyanato-3-(methylthio)-

CAS No.:
28479-19-8
Catalog Number:
AG002VGI
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
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Product Description
Catalog Number:
AG002VGI
Chemical Name:
Benzene, 1-isocyanato-3-(methylthio)-
CAS Number:
28479-19-8
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00013863
IUPAC Name:
1-isocyanato-3-methylsulfanylbenzene
InChI:
InChI=1S/C8H7NOS/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
InChI Key:
BKJABLMNBSVKCV-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)SC
EC Number:
626-058-2
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties