Products for Research Use Only
RegisterLogin

D149 Dye

CAT: 0931-T18960-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T18960-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
786643-20-7
Target
Others
Related Pathways
Others
Bioactivity
D149 Dye is an indoline-based, high-extinction-coefficient, metal-free organic sensitizer.
Smiles
CCN1C(=S)S\C(C1=O)=c1/s\c(=C\c2ccc3N(C4CCCC4c3c2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(=O)n1CC(O)=O
Molecular Formula
C42H35N3O4S3
Molecular Weight
741.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(2E,5Z)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
CAS Number786643-20-7
PubChem CID58239565
IUPAC Name2-[(2E,5Z)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
Molecular FormulaC42H35N3O4S3
Molecular Weight741.9
XLogP9.7
Topological Polar Surface Area164
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count52
Formal Charge0
Complexity1480
SMILES
CCN1C(=O)/C(=C\2/N(C(=O)/C(=C/C3=CC4=C(C=C3)N(C5C4CCC5)C6=CC=C(C=C6)C=C(C7=CC=CC=C7)C8=CC=CC=C8)/S2)CC(=O)O)/SC1=S
InChI
InChI=1S/C42H35N3O4S3/c1-2-43-40(49)38(52-42(43)50)41-44(25-37(46)47)39(48)36(51-41)24-27-18-21-35-33(23-27)31-14-9-15-34(31)45(35)30-19-16-26(17-20-30)22-32(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,16-24,31,34H,2,9,14-15,25H2,1H3,(H,46,47)/b36-24-,41-38+
InChIKey
OZFUEQNYOBIXTB-SJIUXOFISA-N
Chemical Structure
2D Structure
2D structure of 2-[(2E,5Z)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
CAS: 786643-20-7
CID: 58239565
Formula: C42H35N3O4S3
MW: 741.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight741.9
XLogP39.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass741.17897013
Monoisotopic Mass741.17897013
Topological Polar Surface Area164 Ų
Heavy Atom Count52
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T18985-01Dye 937
T32519-01Lac dye
T86313-01Dye 40
T18986-01Dye 993
T86889-01Methyl violet dye
T87396-01SiR dye 1
TD0086ROX Reference Dye
T19037-01NIR dye-1
TD0014-01Cy5-bifunctional dye
T209291-01FD dye 7

Alternative Products

CatalogName
HY-50938-01D149 Dye
A11387-500D149 Dye 500mg
A11387-100D149 Dye 100mg
A11387-50D149 Dye 50mg
A11387-25D149 Dye 25mg

Popular Products