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CAS 1303-33-9 ARSENIC (III) SULFIDE molecular structure lightbox
CAS RN: 1303-33-9

ARSENIC (III) SULFIDE

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  • Product code: starshine_CAS1303-33-9
  • Purity/Analytical Methods: >99.0%
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1303-33-9 / 2,4,5-trithia-1,3-diarsabicyclo[1.1.1]pentane

Standard CAS: 1303-33-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1303-33-9
Multi CAS
No
Molecular Formula
As2S3
Molecular Weight
246.000000
Exact Mass
245.759400
SMILES
S1[As]2S[As]1S2
InChI
InChI=1S/As2S3/c3-1-4-2(3)5-1
InChIKey
UKUVVAMSXXBMRX-UHFFFAOYSA-N

Physical Properties

Melting Point
572 °F (USCG, 1999) 310 °C
Boiling Point
707 °C
Density
3.43 at 68 °F (USCG, 1999) - Denser than water; will sink 3.46
Physical Description
Arsenic trisulfide appears as a yellow or red crystalline solid or powder. Combustible. Insoluble in water. Toxic by inhalation (dust) and ingestion. Yellow or orange solid; [Merck Index] Yellow pieces with an odor of rotten eggs
Appearance
Yellow-orange monoclinic crystals Changes to a red form at 170 °C
State
Solid
Storage Conditions
Store in a cool, dry, well-ventilated location. Separate from acids, oxidizing materials, halogens. Protect container against physical damage. Store in well ventilated area away from food or food products and combustible materials. /Inorganic arsenic cmpd/

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
3
Molar refractivity
34.28
TPSA
75.9000

LogP / Solubility

WLOGP
1.18
MLOGP
1.05
XLogP3
1.18
Consensus LogP
1.14
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.38

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
3

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H350: May cause cancer [Danger Carcinogenicity] H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P308+P316, P316, P318, P319, P321, P330, P337+P317, P361+P364, P405, and P501 P203, P260, P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P308+P316, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P405, and P501
DOT ID (UN/NA Number)
1556 1557

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