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CAS 1317-37-9 Iron(II) sulfide (hexagonal) molecular structure lightbox
CAS RN: 1317-37-9

Iron(II) sulfide (hexagonal)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250624 2g / 10g / 50g / 250g Confirm by inquiry Shandong, Hebei 8-10 business days Inquiry
  • Product code: starshine_CAS1317-37-9
  • Purity/Analytical Methods: >99.0%
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1317-37-9 / sulfanylideneiron

Standard CAS: 1317-37-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1317-37-9
Multi CAS
No
Molecular Formula
FeS
Molecular Weight
87.910000
Exact Mass
87.907007
SMILES
S=[Fe]
InChI
InChI=1S/Fe.S
InChIKey
MBMLMWLHJBBADN-UHFFFAOYSA-N

Physical Properties

Melting Point
1194 °C
Boiling Point
Deomposes
Density
4.75
Physical Description
Gray to brown solid, or in pure form, colorless hexagonal crystals; Insoluble in water, but soluble in acids with release of H2S; [Merck Index]
Appearance
Colorless hexagonal crystals when pure; usually gray to brownish-black lumps, rods or granular powder; trimorphic with transition points @ 135 and 325 °C Dark-brown or black metallic pieces, sticks, or granules
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
2
H-bond acceptors
1
Molar refractivity
7.59
TPSA
32.1000

LogP / Solubility

WLOGP
0.65
MLOGP
0.55
XLogP3
0.65
Consensus LogP
0.62
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-2.8

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 232 of 271 companies Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.

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