Thiotaurine

CAT: 0127-OR1075844-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1075844-02Size:100 mg

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

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CAS Number

2937-54-4

Purity

98%

Smiles

O=S(S)(CCN)=O

Chemical Information

Thiotaurine

RN given refers to parent cpd; structure given in first source

CAS Number	2937-54-4
PubChem CID	6858023
IUPAC Name	2-hydroxysulfonothioylethanamine
Molecular Formula	C2H7NO2S2
Molecular Weight	141.22
XLogP	-0.1
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	137

SMILES

C(CS(=O)(=S)O)N

InChI

InChI=1S/C2H7NO2S2/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

InChIKey

SHWIJIJNPFXOFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2937-54-4

CID: 6858023

Formula: C2H7NO2S2

MW: 141.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.22
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	140.99182081
Monoisotopic Mass	140.99182081
Topological Polar Surface Area	104 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	137
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
BITP1424-01	Recombinant Human Thiopurine S-methyltransferase

Catalog	Name
GTR19249224-01	Thiotaurine