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Methyl isothiocyanate

CAS No.:
556-61-6
Catalog Number:
AG0037MR
Molecular Formula:
C2H3NS
Molecular Weight:
73.1169
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Product Description
Catalog Number:
AG0037MR
Chemical Name:
Methyl isothiocyanate
CAS Number:
556-61-6
Molecular Formula:
C2H3NS
Molecular Weight:
73.1169
MDL Number:
MFCD00004818
IUPAC Name:
methylimino(sulfanylidene)methane
InChI:
InChI=1S/C2H3NS/c1-3-2-4/h1H3
InChI Key:
LGDSHSYDSCRFAB-UHFFFAOYSA-N
SMILES:
CN=C=S
EC Number:
209-132-5
UNII:
RWE2M5YDW1
FEMA Number:
4426
UN Number:
2477
Properties
Complexity:
44  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
72.999g/mol
Formal Charge:
0
Heavy Atom Count:
4  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
73.113g/mol
Monoisotopic Mass:
72.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
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