Home Other Building Blocks 1-(furan-2-ylmethyl)-3-methylthiourea

1-(furan-2-ylmethyl)-3-methylthiourea

CAS No.:
59814-98-1
Catalog Number:
AG01AA8S
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
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Product Description
Catalog Number:
AG01AA8S
Chemical Name:
1-(furan-2-ylmethyl)-3-methylthiourea
CAS Number:
59814-98-1
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD01570209
IUPAC Name:
1-(furan-2-ylmethyl)-3-methylthiourea
InChI:
InChI=1S/C7H10N2OS/c1-8-7(11)9-5-6-3-2-4-10-6/h2-4H,5H2,1H3,(H2,8,9,11)
InChI Key:
BQCZYDJTDCKDBL-UHFFFAOYSA-N
SMILES:
CNC(=S)NCc1ccco1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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