CAS RN: 12135-76-1

Ammonium sulfide

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  • Product code: starshine_CAS12135-76-1
  • Purity/Analytical Methods: >99.0%
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12135-76-1 / diazanium;sulfide

AMMONIUM SULFIDE | Diammonium sulfide | Ammonium sulphide

Standard CAS: 12135-76-1 Multi CAS: Yes

Basic Information

CAS
12135-76-1
Multi CAS
Yes
Molecular Formula
H8N2S
Molecular Weight
68.150000
Exact Mass
68.040819
SMILES
[NH4+].[NH4+].[S-2]
InChI
InChI=1S/2H3N.S/h2*1H3;/q;;-2/p+2
InChIKey
UYJXRRSPUVSSMN-UHFFFAOYSA-P
Synonyms
AMMONIUM SULFIDE Diammonium sulfide Ammonium sulphide Ammonium monosulfide True ammonium sulfide

Physical Properties

Melting Point
Approximately 0 °C; decomposes
Boiling Point
104 °F at 760 mmHg (USCG, 1999) 40 °C /Ammonium sulfide solution/
Density
0.99 to 1.01 at 68 °F (USCG, 1999) 1 g/mL at 25 °C /Ammonium sulfide solution/
Physical Description
Ammonium sulfide aqueous solution is a colorless to yellow liquid, with an odor of rotten eggs or ammonia. Can slowly react with water to generate flammable and toxic hydrogen sulfide gas. This reaction is much faster with acid. It may be irritating to skin, eyes and mucous membranes and may cause illness from skin absorption. It may burn and/or emit toxic fumes if heated to high temperatures. Liquid Colorless to yellow solid below -18 deg C; Decomposes above this temperature; [HSDB] Available as colorless to yellow solution with an odor of rotten eggs; [CAMEO] 40-44% aqueous solution is yellow liquid with a stench
Appearance
Yellow-orange crystals. Compound is found as colorless to yellow crystals below -18 °C or as yellow-orange crystals
State
Solid
Storage Conditions
During transport: storage temperature: ambient; venting: open (flame arrester).

Computed Properties

Structural Parameters

Heavy atom count
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
19.33
TPSA
73

LogP / Solubility

WLOGP
0.75
MLOGP
0.64
XLogP3
0.75
Consensus LogP
0.71
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H301: Toxic if swallowed [Danger Acute toxicity, oral] H312: Harmful in contact with skin [Warning Acute toxicity, dermal] H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501
DOT ID (UN/NA Number)
2683

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