Naftoxate

CAT: 0926-DBA82028-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-DBA82028-02Size:5 mg

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CAS Number

28820-28-2

MDL Number

MFCD00868399

Smiles

CN (C1=CC=CC2=CC=CC=C21) C (=S) SC3=NC4=CC=CC=C4O3

Molecular Formula

C19H14N2OS2

Molecular Weight

350.5 g/mol

Controlled

Chemical Information

Naftoxate

Naftoxate is a small molecule drug. Naftoxate has a monoisotopic molecular weight of 350.05 Da.

CAS Number	28820-28-2
PubChem CID	164524
IUPAC Name	1,3-benzoxazol-2-yl N-methyl-N-naphthalen-1-ylcarbamodithioate
Molecular Formula	C19H14N2OS2
Molecular Weight	350.5
XLogP	5.8
Topological Polar Surface Area	86.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	461

SMILES

CN(C1=CC=CC2=CC=CC=C21)C(=S)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H14N2OS2/c1-21(16-11-6-8-13-7-2-3-9-14(13)16)19(23)24-18-20-15-10-4-5-12-17(15)22-18/h2-12H,1H3

InChIKey

LJYUANIJQACDNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28820-28-2

CID: 164524

Formula: C19H14N2OS2

MW: 350.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.5
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	350.05475542
Monoisotopic Mass	350.05475542
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	461
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19198839-01	Naftoxate