SCR7 pyrazine 50mg

CAT: 0628-A17138-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A17138-50Size:50 mg

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

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CAS Number

14892-97-8

Chemical Information

Oprea1_571617

CAS Number	14892-97-8
PubChem CID	10688007
IUPAC Name	6,7-diphenyl-2-sulfanylidene-1H-pteridin-4-one
Molecular Formula	C18H12N4OS
Molecular Weight	332.4
XLogP	2.9
Topological Polar Surface Area	99
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	487

SMILES

C1=CC=C(C=C1)C2=NC3=C(NC(=S)NC3=O)N=C2C4=CC=CC=C4

InChI

InChI=1S/C18H12N4OS/c23-17-15-16(21-18(24)22-17)20-14(12-9-5-2-6-10-12)13(19-15)11-7-3-1-4-8-11/h1-10H,(H2,20,21,22,23,24)

InChIKey

GSRTWXVBHGOUBU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14892-97-8

CID: 10688007

Formula: C18H12N4OS

MW: 332.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.4
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	332.07318219
Monoisotopic Mass	332.07318219
Topological Polar Surface Area	99 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	487
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
C4941-10	SCR7 pyrazine
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