Home Other Building Blocks (1-methoxypropan-2-yl)thiourea

(1-methoxypropan-2-yl)thiourea

CAS No.:
732287-96-6
Catalog Number:
AG019I2R
Molecular Formula:
C5H12N2OS
Molecular Weight:
148.2266
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Product Description
Catalog Number:
AG019I2R
Chemical Name:
(1-methoxypropan-2-yl)thiourea
CAS Number:
732287-96-6
Molecular Formula:
C5H12N2OS
Molecular Weight:
148.2266
MDL Number:
MFCD03976144
IUPAC Name:
1-methoxypropan-2-ylthiourea
InChI:
InChI=1S/C5H12N2OS/c1-4(3-8-2)7-5(6)9/h4H,3H2,1-2H3,(H3,6,7,9)
InChI Key:
JRWFGTPIMXJGFR-UHFFFAOYSA-N
SMILES:
CC(NC(=S)N)COC
Properties
Complexity:
97  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.067g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
148.224g/mol
Monoisotopic Mass:
148.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties