COH34

CAT: 0926-GLB43972-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GLB43972-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

906439-72-3

Smiles

CC1=CC=C (C=C1) SN=CC2=C (C=CC3=CC=CC=C32) O

Molecular Formula

C18H15NOS

Molecular Weight

293.4 g/mol

Controlled

Chemical Information

(E)-1-(((p-Tolylthio)imino)methyl)naphthalen-2-ol

CAS Number	906439-72-3
PubChem CID	303171
IUPAC Name	1-[(4-methylphenyl)sulfanyliminomethyl]naphthalen-2-ol
Molecular Formula	C18H15NOS
Molecular Weight	293.4
XLogP	4.9
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	351

SMILES

CC1=CC=C(C=C1)SN=CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C18H15NOS/c1-13-6-9-15(10-7-13)21-19-12-17-16-5-3-2-4-14(16)8-11-18(17)20/h2-12,20H,1H3

InChIKey

SFUAIBHPGDRCFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 906439-72-3

CID: 303171

Formula: C18H15NOS

MW: 293.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.4
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	293.08743528
Monoisotopic Mass	293.08743528
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	351
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes