MeOIstPyrd

CAT: 0607-BA3475-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3475-10Size:10 mg

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

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CAS Number

2308548-54-9

Form

A solid

Molecular Formula

C14H16N4O2S

Molecular Weight

304.37

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

MeOIstPyrd

CAS Number	2308548-54-9
PubChem CID	168510604
IUPAC Name	N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyrrolidine-1-carbothioamide
Molecular Formula	C14H16N4O2S
Molecular Weight	304.37
XLogP	3.1
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	414

SMILES

COC1=CC2=C(C=C1)NC(=C2N=NC(=S)N3CCCC3)O

InChI

InChI=1S/C14H16N4O2S/c1-20-9-4-5-11-10(8-9)12(13(19)15-11)16-17-14(21)18-6-2-3-7-18/h4-5,8,15,19H,2-3,6-7H2,1H3

InChIKey

NTBIQBNFRATJGD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2308548-54-9

CID: 168510604

Formula: C14H16N4O2S

MW: 304.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.37
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	304.09939694
Monoisotopic Mass	304.09939694
Topological Polar Surface Area	105 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	414
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
T79657-01	MeOIstPyrd