G6PDi-1

CAT: 0607-BA4400-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4400-1Size:1 mg

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

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CAS Number

2457232-14-1

Form

A solid

Molecular Formula

C14H12N4OS

Molecular Weight

284.34

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

4-((5-Oxo-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)amino)thiophene-2-carbonitrile

CAS Number	2457232-14-1
PubChem CID	145998284
IUPAC Name	4-[(5-oxo-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-2-yl)amino]thiophene-2-carbonitrile
Molecular Formula	C14H12N4OS
Molecular Weight	284.34
XLogP	2.3
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	421

SMILES

C1CCC(=O)C2=CN=C(N=C2C1)NC3=CSC(=C3)C#N

InChI

InChI=1S/C14H12N4OS/c15-6-10-5-9(8-20-10)17-14-16-7-11-12(18-14)3-1-2-4-13(11)19/h5,7-8H,1-4H2,(H,16,17,18)

InChIKey

USWCHVCZOGGQQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2457232-14-1

CID: 145998284

Formula: C14H12N4OS

MW: 284.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.34
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	284.07318219
Monoisotopic Mass	284.07318219
Topological Polar Surface Area	107 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	421
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