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MTS-TAMRA

CAT: 0024-sc-215393Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-215393Size:1 mg
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CAS Number
1329837-19-5

Chemical Information

2-((5(6)-Tetramethyl-rhodamine)carboxylamino)ethyl Methanethiosulfonate (90%)
CAS Number1329837-19-5
PubChem CID71752493
IUPAC Name3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one;N-(2-methylsulfonylsulfanylethyl)acetamide
Molecular FormulaC29H33N3O6S2
Molecular Weight583.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity820
SMILES
CC(=O)NCCSS(=O)(=O)C.CN(C)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C24H22N2O3.C5H11NO3S2/c1-25(2)15-9-11-19-21(13-15)28-22-14-16(26(3)4)10-12-20(22)24(19)18-8-6-5-7-17(18)23(27)29-24;1-5(7)6-3-4-10-11(2,8)9/h5-14H,1-4H3;3-4H2,1-2H3,(H,6,7)
InChIKey
XRWWYYMLHIPCSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((5(6)-Tetramethyl-rhodamine)carboxylamino)ethyl Methanethiosulfonate (90%)
CAS: 1329837-19-5
CID: 71752493
Formula: C29H33N3O6S2
MW: 583.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass583.18107813
Monoisotopic Mass583.18107813
Topological Polar Surface Area139 Ų
Heavy Atom Count40
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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