CAS RN: 16330-92-0
tetrathiomolybdate
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS16330-92-0
- Purity/Analytical Methods: >99.0%
16330-92-0 / bis(sulfanylidene)molybdenum;sulfanide
Basic Information
CAS
16330-92-0
Multi CAS
No
Molecular Formula
H2MoS4-2
Molecular Weight
226.200000
Exact Mass
227.809338
SMILES
[SH-].[SH-].S=[Mo]=S
InChI
InChI=1S/Mo.2H2S.2S/h;2*1H2;;/p-2
InChIKey
VVRHUOPINLMZBL-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.7
TPSA
66.2000
LogP / Solubility
WLOGP
0.75
MLOGP
0.67
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1
