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2059988-36-0

2059988-36-0 | 1-[(6-methylpyridin-2-yl)imino]-1lambda6-thiolan-1-one

CAS No: 2059988-36-0 Catalog No: AG01BQYW MDL No:MFCD30502128

Product Description

Catalog Number:
AG01BQYW
Chemical Name:
1-[(6-methylpyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS Number:
2059988-36-0
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
MDL Number:
MFCD30502128
IUPAC Name:
1-(6-methylpyridin-2-yl)iminothiolane 1-oxide
InChI:
InChI=1S/C10H14N2OS/c1-9-5-4-6-10(11-9)12-14(13)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3
InChI Key:
ACRDDDWPQCCRFH-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)N=S1(=O)CCCC1

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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