Thio-TEPA

CAT: 0127-BUP15600-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15600-05Size:100 mg

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CAS Number

52-24-4

Synonyms

Tiofosyl, Triethylenethiophosphoramide, Tiofosfamid

Purity

=98%

Smiles

P(=S)(N1CC1)(N2CC2)N3CC3

Chemical Information

Thiotepa

Tris(1-aziridinyl)phosphine Sulfide (Thiotepa) can cause cancer according to an independent committee of scientific and health experts.

CAS Number	52-24-4
PubChem CID	5453
IUPAC Name	tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane
Molecular Formula	C6H12N3PS
Molecular Weight	189.22
XLogP	0.5
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	194

SMILES

C1CN1P(=S)(N2CC2)N3CC3

InChI

InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2

InChIKey

FOCVUCIESVLUNU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52-24-4

CID: 5453

Formula: C6H12N3PS

MW: 189.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.22
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	189.04895557
Monoisotopic Mass	189.04895557
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	194
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
OR28473-01	2- ({[ (carboxymethyl) thio]methyl}thio) acetic acid
OR23639	2- ({2-[ (2-aminophenyl) thio]ethyl}thio) aniline
OR28511	2- ({[ (1-carboxyethyl) thio]methyl}thio) propanoic acid
OR28474	3- ({[ (2-carboxyethyl) thio]methyl}thio) propanoic acid
OR1068710-01	3- ((((1-Carboxyethyl) thio) carbonothioyl) thio) propanoic acid
BIPG1845-01	Thio-PEG8-acid
BIPG1846	Thio-PEG12-acid
OR1005217	4- ((((2-Carboxyethyl) thio) carbonothioyl) thio) -4-cyanopentanoic acid
OR28515	Ethyl 2- ({[ (2-ethoxy-2-oxoethyl) thio]methyl}thio) acetate
OR28514	Methyl 2- ({[ (2-methoxy-2-oxoethyl) thio]methyl}thio) acetate

Catalog	Name
B3742-5.1	Thio-TEPA
HY-17574R-01	Thio-TEPA (Standard)
HY-W701673-01	Thio-TEPA-d12
571153	TEPA
MBS1424681-01	Recombinant Bacillus subtilis Translocation-enhancing protein TepA (tepA)
MBS1473438-01	Recombinant Bacillus halodurans Translocation-enhancing protein TepA (tepA)
N8210-01	Thio-oxidized Coenzyme I (Thio-NAD+)
AR-M04410-01	Hydroxy Methionine Thio-Thio Methyl Impurity
HY-154924	Thio-NADP
HY-171481	Thio-acridone