SPA0355

CAT: 0926-BAC83915Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BAC83915Size:50 mg

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

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CAS Number

1251839-15-2

MDL Number

MFCD22666401

Smiles

CNC (=S) NC1=CC=C (C=C1) OCCN2C3=CC=CC=C3OC4=CC=CC=C42

Molecular Formula

C22H21N3O2S

Molecular Weight

391.5 g/mol

Controlled

Chemical Information

1-Methyl-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]thiourea

CAS Number	1251839-15-2
PubChem CID	56593432
IUPAC Name	1-methyl-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]thiourea
Molecular Formula	C22H21N3O2S
Molecular Weight	391.5
XLogP	4.5
Topological Polar Surface Area	77.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	490

SMILES

CNC(=S)NC1=CC=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C22H21N3O2S/c1-23-22(28)24-16-10-12-17(13-11-16)26-15-14-25-18-6-2-4-8-20(18)27-21-9-5-3-7-19(21)25/h2-13H,14-15H2,1H3,(H2,23,24,28)

InChIKey

IEFRKIYTMPORCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1251839-15-2

CID: 56593432

Formula: C22H21N3O2S

MW: 391.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	391.5
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	391.13544809
Monoisotopic Mass	391.13544809
Topological Polar Surface Area	77.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	490
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
HY-169703	SPA0355