Home Other Building Blocks Pentanoic acid, 5-isothiocyanato-

Pentanoic acid, 5-isothiocyanato-

CAS No.:
59004-81-8
Catalog Number:
AG01DTB6
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
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Product Description
Catalog Number:
AG01DTB6
Chemical Name:
Pentanoic acid, 5-isothiocyanato-
CAS Number:
59004-81-8
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
MDL Number:
MFCD20643663
IUPAC Name:
5-isothiocyanatopentanoic acid
InChI:
InChI=1S/C6H9NO2S/c8-6(9)3-1-2-4-7-5-10/h1-4H2,(H,8,9)
InChI Key:
WWLWLQMIFGULGR-UHFFFAOYSA-N
SMILES:
S=C=NCCCCC(=O)O
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.203g/mol
Monoisotopic Mass:
159.035g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties