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Compound Fr14355

CAT: 0931-Fr14355-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14355-02Size:25 mg
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CAS Number
23417-29-0
Bioactivity
Compound Fr14355, with CAS No. 23417-29-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14355 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC1=CC=C2NC(=S)OC2=C1
Molecular Formula
C8H7NOS
Molecular Weight
165.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Methyl-1,3-benzoxazole-2-thiol

6-Methyl-2,3-dihydro-1,3-benzoxazole-2-thione is a benzoxazole.

CAS Number23417-29-0
PubChem CID963501
IUPAC Name6-methyl-3H-1,3-benzoxazole-2-thione
Molecular FormulaC8H7NOS
Molecular Weight165.21
XLogP2.1
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity183
SMILES
CC1=CC2=C(C=C1)NC(=S)O2
InChI
InChI=1S/C8H7NOS/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H,9,11)
InChIKey
NUMDWMDMUXZMHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-1,3-benzoxazole-2-thiol
CAS: 23417-29-0
CID: 963501
Formula: C8H7NOS
MW: 165.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.21
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass165.02483502
Monoisotopic Mass165.02483502
Topological Polar Surface Area53.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr14352-01Compound Fr14352
Fr14345-01Compound Fr14345
Fr14325-01Compound Fr14325
Fr14315-01Compound Fr14315
Fr14385-01Compound Fr14385
Fr14365-01Compound Fr14365
Fr14351-01Compound Fr14351
Fr13455-01Compound Fr13455
Fr14354-01Compound Fr14354
Fr14356-01Compound Fr14356

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HY-U00358Compound 2
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HY-14176-01Compound E
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MBS3613444-01Compound W
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