Hydrazine-1,2-bis(carbothioamide)

Introduction

CAS No. :	142-46-1	MDL No. :	MFCD00014471
Formula :	C2H6N4S2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KCOYHFNCTWXETP-UHFFFAOYSA-N
M.W :	150.23	Pubchem ID :	2724564
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	4.0
Molar Refractivity :	38.33
TPSA :	140.28 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.86 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.38
Log Po/w (XLOGP3) :	-0.9
Log Po/w (WLOGP) :	-1.43
Log Po/w (MLOGP) :	-1.51
Log Po/w (SILICOS-IT) :	0.47
Consensus Log Po/w :	-0.6

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.01
Solubility :	148.0 mg/ml ; 0.985 mol/l
Class :	Very soluble
Log S (Ali) :	-1.56
Solubility :	4.11 mg/ml ; 0.0273 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.45
Solubility :	421.0 mg/ml ; 2.81 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.42

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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