THP104c

CAT: 0127-BUP07724-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07724-01Size:5 mg

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

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CAS Number

877792-12-6

Purity

=98%

Smiles

COc1cccc(\C=N\Nc2ncnc3scc(-c4ccccc4)c23)c1O

Chemical Information

2-Methoxy-6-((2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazineylidene)methyl)phenol

CAS Number	877792-12-6
PubChem CID	135476824
IUPAC Name	2-methoxy-6-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
Molecular Formula	C20H16N4O2S
Molecular Weight	376.4
XLogP	4.7
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	502

SMILES

COC1=CC=CC(=C1O)/C=N/NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O2S/c1-26-16-9-5-8-14(18(16)25)10-23-24-19-17-15(13-6-3-2-4-7-13)11-27-20(17)22-12-21-19/h2-12,25H,1H3,(H,21,22,24)/b23-10+

InChIKey

SHKPGEAUAUBOMX-AUEPDCJTSA-N

Chemical Structure

2D Structure

CAS: 877792-12-6

CID: 135476824

Formula: C20H16N4O2S

MW: 376.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	376.4
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	376.09939694
Monoisotopic Mass	376.09939694
Topological Polar Surface Area	108 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	502
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3617402-01	THP104c