Indaziflam-desindenyl

CAT: 0926-MQC28520Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-MQC28520Size:500 mg

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

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CAS Number

1637285-20-1

Smiles

CS (=O) (=O) C1=C (C (=C (S1) N) C#N) C2=CC=C (C=C2) F

Molecular Formula

C5H8FN5

Molecular Weight

157.15 g/mol

Controlled

Chemical Information

6-(1-Fluoroethyl)-1,3,5-triazine-2,4-diamine

CAS Number	1637285-20-1
PubChem CID	101880615
IUPAC Name	6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
Molecular Formula	C5H8FN5
Molecular Weight	157.15
XLogP	-0.1
Topological Polar Surface Area	90.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	122

SMILES

CC(C1=NC(=NC(=N1)N)N)F

InChI

InChI=1S/C5H8FN5/c1-2(6)3-9-4(7)11-5(8)10-3/h2H,1H3,(H4,7,8,9,10,11)

InChIKey

SAVPFAWCTFJSAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1637285-20-1

CID: 101880615

Formula: C5H8FN5

MW: 157.15

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	157.15
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	157.07637344
Monoisotopic Mass	157.07637344
Topological Polar Surface Area	90.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CS-K-00158	Indaziflam