Home Nitriles 2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetonitrile

2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetonitrile

CAS No.:
1492523-77-9
Catalog Number:
AG01B52L
Molecular Formula:
C7H11NS
Molecular Weight:
141.2339
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Product Description
Catalog Number:
AG01B52L
Chemical Name:
2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetonitrile
CAS Number:
1492523-77-9
Molecular Formula:
C7H11NS
Molecular Weight:
141.2339
MDL Number:
MFCD21247053
IUPAC Name:
2-[1-(methylsulfanylmethyl)cyclopropyl]acetonitrile
InChI:
InChI=1S/C7H11NS/c1-9-6-7(2-3-7)4-5-8/h2-4,6H2,1H3
InChI Key:
AVZYZPXGSPRXTL-UHFFFAOYSA-N
SMILES:
CSCC1(CC#N)CC1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.061g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.232g/mol
Monoisotopic Mass:
141.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties