PKG drug G1 2mg

CAT: 0628-A19870-2Size: 2 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A19870-2Size:2 mg

Selected

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

Quick Request Actions

CAS Number

374703-78-3

Chemical Information

PKG drug G1

CAS Number	374703-78-3
PubChem CID	135402990
IUPAC Name	4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione
Molecular Formula	C13H11N3OS
Molecular Weight	257.31
XLogP	1.2
Topological Polar Surface Area	88.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	492

SMILES

CC\1=NC2=CC=CC=C2/C1=C/C3=C(NC(=S)N3)O

InChI

InChI=1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18)/b9-6+

InChIKey

BPJCCABLAZZIEJ-RMKNXTFCSA-N

Chemical Structure

2D Structure

CAS: 374703-78-3

CID: 135402990

Formula: C13H11N3OS

MW: 257.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.31
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	257.06228316
Monoisotopic Mass	257.06228316
Topological Polar Surface Area	88.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	492
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes