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METHALLYL MERCAPTAN

CAS No.:
5954-68-7
Catalog Number:
AG00E98I
Molecular Formula:
C4H8S
Molecular Weight:
88.1713
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Product Description
Catalog Number:
AG00E98I
Chemical Name:
METHALLYL MERCAPTAN
CAS Number:
5954-68-7
Molecular Formula:
C4H8S
Molecular Weight:
88.1713
MDL Number:
MFCD00039653
IUPAC Name:
2-methylprop-2-ene-1-thiol
InChI:
InChI=1S/C4H8S/c1-4(2)3-5/h5H,1,3H2,2H3
InChI Key:
UFJYVTQALAAQEQ-UHFFFAOYSA-N
SMILES:
CC(=C)CS
Properties
Complexity:
38.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
88.035g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
88.168g/mol
Monoisotopic Mass:
88.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties