MTSEA Biotin

CAT: 0024-sc-221960Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-221960Size:10 mg

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

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CAS Number

162758-04-5

Chemical Information

N-Biotinylaminoethyl methylthiosulphonate

CAS Number	162758-04-5
PubChem CID	29973978
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(2-methylsulfonylsulfanylethyl)pentanamide
Molecular Formula	C13H23N3O4S3
Molecular Weight	381.5
XLogP	-0.1
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	535

SMILES

CS(=O)(=O)SCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

InChI

InChI=1S/C13H23N3O4S3/c1-23(19,20)22-7-6-14-11(17)5-3-2-4-10-12-9(8-21-10)15-13(18)16-12/h9-10,12H,2-8H2,1H3,(H,14,17)(H2,15,16,18)/t9-,10-,12-/m0/s1

InChIKey

CQPWMXNDGWWWHG-NHCYSSNCSA-N

Chemical Structure

2D Structure

CAS: 162758-04-5

CID: 29973978

Formula: C13H23N3O4S3

MW: 381.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	381.5
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	381.08506974
Monoisotopic Mass	381.08506974
Topological Polar Surface Area	163 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	535
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
sc-218892	MTSEA-Fluorescein
sc-207818	T-Boc-MTSEA-Fluorescein
sc-210703	9-Carboxyanthracene MTSEA Amide
sc-209124	2-Carboxyanthracene MTSEA Amide
sc-217975	Cyanine 5 Monofunctional MTSEA Dye, Potassium Salt
sc-358106	Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt
sc-217966	Cyanine 3 Monofunctional Bihexanoic Acid Mono-MTSEA Dye, Potassium Salt
sc-221394A	Carbaprostacyclin-biotin
sc-503564	Biotin Sulfone
sc-391399D	Diamino Biotin

Catalog	Name
#90064	MTSEA Biotin
HY-W013166-01	MTSEA-biotin
#90066-1	MTSEA Biotin-XX
#90065-1	MTSEA Biotin-X
MBS6032716-01	N-Biotinylaminoethyl Methanethiosulfonate (MTSEA-Biotin)
MBS5771975	MTSEA hydrobromide
HY-120128-01	MTSEA (hydrobromide)
MBS5817290	MTSEA-Fluorescein
TRC-M760300-100MG	MTSEA-DBCO
456682-01	MTSEA-DBCO discontinued