C.I.Vat Yellow 2

CAT: 0926-FV41529-01Size: 0.5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FV41529-01Size:0.5 g

Selected

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

Quick Request Actions

CAS Number

129-09-9

MDL Number

MFCD00059155

Smiles

C1=CC=C (C=C1) C2=NC3=C (S2) C4=C (C=C3) C (=O) C5=C (C4=O) C=CC6=C5SC (=N6) C7=CC=CC=C7

Molecular Formula

C28H14N2O2S2

Molecular Weight

474.56 g/mol

Controlled

Chemical Information

C.I. Vat Yellow 2

CAS Number	129-09-9
PubChem CID	31425
IUPAC Name	6,16-diphenyl-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),3(11),4(8),6,9,14(18),16,19-octaene-2,12-dione
Molecular Formula	C28H14N2O2S2
Molecular Weight	474.6
XLogP	7.1
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	34
Formal Charge	0
Complexity	744

SMILES

C1=CC=C(C=C1)C2=NC3=C(S2)C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5SC(=N6)C7=CC=CC=C7

InChI

InChI=1S/C28H14N2O2S2/c31-23-18-12-14-20-26(34-28(30-20)16-9-5-2-6-10-16)22(18)24(32)17-11-13-19-25(21(17)23)33-27(29-19)15-7-3-1-4-8-15/h1-14H

InChIKey

GFFQNEGBFFGLQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129-09-9

CID: 31425

Formula: C28H14N2O2S2

MW: 474.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	474.6
XLogP3	7.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	474.04967004
Monoisotopic Mass	474.04967004
Topological Polar Surface Area	116 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	744
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
T20177-01	C.I. Vat Yellow 2
abx181248-01	C.I.Vat Yellow 2
GTR19223745-01	C.I. Vat Yellow 4
TRC-C475860-2.5G	C.I.Vat Yellow 2 (Technical Grade)
GTR19283608-01	Vat Yellow 13
HY-117860	Vat Yellow 4
JH111818	Vat Yellow 2
AR-D02604-01	C. I. Solvent Yellow 5 (Yellow AB)
596145	C.I. Food Yellow 13
HY-D0410	C.I. Acid yellow 200