Home Nitriles 1-[(acetylsulfanyl)methyl]cyclopentane-1-carbonitrile

1-[(acetylsulfanyl)methyl]cyclopentane-1-carbonitrile

CAS No.:
1443982-01-1
Catalog Number:
AG01A5TH
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
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Product Description
Catalog Number:
AG01A5TH
Chemical Name:
1-[(acetylsulfanyl)methyl]cyclopentane-1-carbonitrile
CAS Number:
1443982-01-1
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD24843028
IUPAC Name:
S-[(1-cyanocyclopentyl)methyl] ethanethioate
InChI:
InChI=1S/C9H13NOS/c1-8(11)12-7-9(6-10)4-2-3-5-9/h2-5,7H2,1H3
InChI Key:
MSDNJAXSFNYLGG-UHFFFAOYSA-N
SMILES:
N#CC1(CCCC1)CSC(=O)C
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties