Ethyl thioglycolate

Name: Ethyl thioglycolate
SKU: PI623518
Rating: 5 (1 reviews)

Catalog NumberPI623518

CAS Number623-51-8

CategoryAntipsychotics Intermediates

Product Details

Purity	99%
Molecular Formula	C4H8O2S
Linear Formula	HSCH2C(O)OCH2CH3
Molecular Weight	120.17
Molar Refractivity	30.56

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Other Identifiers

Pubchem ID	12185
InChI Key	PVBRSNZAOAJRKO-UHFFFAOYSA-N
MDL Number	MFCD00004874

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	0.8
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.75
Ghose	None
GI Absorption	High
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.47 cm/s
Log Po/w (iLOGP)	1.65
Log Po/w (MLOGP)	0.49
Log Po/w (SILICOS-IT)	0.58
Log Po/w (WLOGP)	0.48
Log Po/w (XLOGP3)	0.8
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.4
Topological Polar Surface Area	65.1 Å²
Veber	0.0

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