Trovirdine

CAT: 0607-BA1929-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1929-50Size:50 mg

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CAS Number

149488-17-5

Form

A solid

Molecular Formula

C13H13BrN4S

Molecular Weight

337.24

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Trovirdine

Trovirdine is a small molecule drug. Trovirdine has a monoisotopic molecular weight of 336.0 Da.

CAS Number	149488-17-5
PubChem CID	3000870
IUPAC Name	1-(5-bromo-2-pyridinyl)-3-(2-pyridin-2-ylethyl)thiourea
Molecular Formula	C13H13BrN4S
Molecular Weight	337.24
XLogP	2.4
Topological Polar Surface Area	81.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	290

SMILES

C1=CC=NC(=C1)CCNC(=S)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)

InChIKey

HOCFDYZWQYGULA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149488-17-5

CID: 3000870

Formula: C13H13BrN4S

MW: 337.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.24
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	336.00443
Monoisotopic Mass	336.00443
Topological Polar Surface Area	81.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	290
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