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CAS 14484-64-1 Iron(III) Dimethyldithiocarbamate molecular structure lightbox
CAS RN: 14484-64-1

Iron(III) Dimethyldithiocarbamate

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260115 100g In stock Inquiry
Batchno.20250312 25g In stock Inquiry
Batchno.20250106 500g In stock Inquiry
  • Product code: ICTD1267
  • Purity/Analytical Methods: >97.0%(T)
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14484-64-1 / tris(N,N-dimethylcarbamodithioate);iron(3+)

Standard CAS: 14484-64-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14484-64-1
Multi CAS
No
Molecular Formula
C9H18FeN3S6
Molecular Weight
416.500000
Exact Mass
415.917435
SMILES
CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
InChI
InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
InChIKey
WHDGWKAJBYRJJL-UHFFFAOYSA-K

Physical Properties

Melting Point
greater than 356 °F (Decomposes) (NIOSH, 2024) 180 °C >356 °F (decomposes) >356 °F (Decomposes)
Boiling Point
Decomposes (NIOSH, 2024) decomposes Decomposes
Density
approx 0.6 kg/L
Physical Description
Ferbam is a dark brown to black odorless solid. Used as a fungicide. (NIOSH, 2024) Dark brown to black, odorless solid. [fungicide]; [NIOSH] ODOURLESS BLACK CRYSTALLINE POWDER. Dark brown to black, odorless solid. Dark brown to black, odorless solid. [fungicide]
Appearance
Black or dark-colored fluffy powder Black solid or powder Dark brown to black solid.
State
Solid
Storage Conditions
Store in cool, dry, well-ventilated, secure area out of reach of children and animals. Decomposes upon prolonged storage... . Store separated from strong oxidants, copper- or mercury-containing compounds and alkaline materials, food and feedstuffs. Dry. Well closed.

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.67
H-bond acceptors
6
Molar refractivity
100.95
TPSA
9.72

LogP / Solubility

WLOGP
1.14
MLOGP
1.03
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard Acute Toxic Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P203, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Class/Division
6.1
Packing Group
III

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