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16378-08-8

16378-08-8 | 6H-Cyclopenta[b]thiophen-6-one, 5-[(dimethylamino)methyl]-4,5-dihydro-, hydrochloride (1:1)

CAS No: 16378-08-8 Catalog No: AG001UE1 MDL No:

Product Description

Catalog Number:
AG001UE1
Chemical Name:
6H-Cyclopenta[b]thiophen-6-one, 5-[(dimethylamino)methyl]-4,5-dihydro-, hydrochloride (1:1)
CAS Number:
16378-08-8
Molecular Formula:
C10H14ClNOS
Molecular Weight:
231.7423
IUPAC Name:
5-[(dimethylamino)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
InChI:
InChI=1S/C10H13NOS/c1-11(2)6-8-5-7-3-4-13-10(7)9(8)12/h3-4,8H,5-6H2,1-2H3
InChI Key:
CEPKIOMFHWCQDB-UHFFFAOYSA-N
SMILES:
CN(CC1Cc2c(C1=O)scc2)C.Cl

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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