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146796-45-4

146796-45-4 | (dimethyl-1,2-oxazol-4-yl)methanethiol

CAS No: 146796-45-4 Catalog No: AG019JMF MDL No:MFCD06357361

Product Description

Catalog Number:
AG019JMF
Chemical Name:
(dimethyl-1,2-oxazol-4-yl)methanethiol
CAS Number:
146796-45-4
Molecular Formula:
C6H9NOS
Molecular Weight:
143.2068
MDL Number:
MFCD06357361
IUPAC Name:
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
InChI:
InChI=1S/C6H9NOS/c1-4-6(3-9)5(2)8-7-4/h9H,3H2,1-2H3
InChI Key:
XWMCJLFTATZHEX-UHFFFAOYSA-N
SMILES:
SCc1c(C)noc1C

Properties

Complexity:
99.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.04g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.204g/mol
Monoisotopic Mass:
143.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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