NUCC-0000323

CAT: 0607-BA6256-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6256-50Size:50 mg

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

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CAS Number

663212-78-0

Form

A solid

Molecular Formula

C15H13BrN4S

Molecular Weight

361.26

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

4-(5-((4-Bromobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridine

CAS Number	663212-78-0
PubChem CID	1296639
IUPAC Name	4-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
Molecular Formula	C15H13BrN4S
Molecular Weight	361.3
XLogP	3
Topological Polar Surface Area	68.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	319

SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=NC=C3

InChI

InChI=1S/C15H13BrN4S/c1-20-14(12-6-8-17-9-7-12)18-19-15(20)21-10-11-2-4-13(16)5-3-11/h2-9H,10H2,1H3

InChIKey

CZQKLBYEPOIHMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 663212-78-0

CID: 1296639

Formula: C15H13BrN4S

MW: 361.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.3
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	360.00443
Monoisotopic Mass	360.00443
Topological Polar Surface Area	68.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	319
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
BA4811-1	NUCC-0226272
BA4811-5	NUCC-0226272
BA4811-10	NUCC-0226272
BA8322-1	S18-000003
BA8322-50	S18-000003
BA8322-25	S18-000003
BA8322-5.1	S18-000003
BA8322-10	S18-000003
BA8322-5	S18-000003
R1121-.1	EZ CapTM Nuc-mScarlet Probe mRNA (m1Ψ)