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73713-92-5 | 4-Hydroxybenzo[d]oxazole-2(3H);-thione
CAS No: 73713-92-5 Catalog No: AG003LJ7 MDL No:MFCD16495908
Product Description
Catalog Number:
AG003LJ7
Chemical Name:
4-Hydroxybenzo[d]oxazole-2(3H);-thione
CAS Number:
73713-92-5
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
MDL Number:
MFCD16495908
IUPAC Name:
4-hydroxy-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C7H5NO2S/c9-4-2-1-3-5-6(4)8-7(11)10-5/h1-3,9H,(H,8,11)
InChI Key:
VNDCJUYCWFLPPM-UHFFFAOYSA-N
SMILES:
S=c1oc2c([nH]1)c(O)ccc2
UNII:
2MBI8Y7D07
NSC Number:
77357
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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