Home Other Building Blocks 1-isocyanato-2-(methylsulfanyl)ethane

1-isocyanato-2-(methylsulfanyl)ethane

CAS No.:
37441-16-0
Catalog Number:
AG01ACZW
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
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Product Description
Catalog Number:
AG01ACZW
Chemical Name:
1-isocyanato-2-(methylsulfanyl)ethane
CAS Number:
37441-16-0
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
MDL Number:
MFCD09759207
IUPAC Name:
1-isocyanato-2-methylsulfanylethane
InChI:
InChI=1S/C4H7NOS/c1-7-3-2-5-4-6/h2-3H2,1H3
InChI Key:
AAEBLLZFCQTPAW-UHFFFAOYSA-N
SMILES:
CSCCN=C=O
Properties
Complexity:
77.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.025g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.166g/mol
Monoisotopic Mass:
117.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties