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Home > Other Heterocycles > 660817-37-8
660817-37-8 | N-bicyclo[2.2.1]hept-5-en-2-ylthiourea
CAS No: 660817-37-8 Catalog No: AG01CAMX MDL No:MFCD01566105
Product Description
Catalog Number:
AG01CAMX
Chemical Name:
N-bicyclo[2.2.1]hept-5-en-2-ylthiourea
CAS Number:
660817-37-8
Molecular Formula:
C8H12N2S
Molecular Weight:
168.2593
MDL Number:
MFCD01566105
IUPAC Name:
2-bicyclo[2.2.1]hept-5-enylthiourea
InChI:
InChI=1S/C8H12N2S/c9-8(11)10-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H3,9,10,11)
InChI Key:
LBGARRDHDRSGJO-UHFFFAOYSA-N
SMILES:
NC(=S)NC1CC2CC1C=C2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.258g/mol
Monoisotopic Mass:
168.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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