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CAS 72140-17-1 DIMETHYLDITHIOCARBAMIC ACID SODIUM SALT DIHYDRATE molecular structure lightbox
CAS RN: 72140-17-1

DIMETHYLDITHIOCARBAMIC ACID SODIUM SALT DIHYDRATE

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 100g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251022 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250909 1kg In stock Wuhan, Chengdu Inquiry
Batchno.20251221 25g In stock Shanghai, Shandong Inquiry
Batchno.20250224 25g In stock Shanghai Inquiry
Batchno.20260411 500g In stock Shanghai Inquiry
Batchno.20260425 500g In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS72140-17-1
  • Purity/Analytical Methods: >99.0%
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72140-17-1 / sodium;N,N-dimethylcarbamodithioate;dihydrate

Standard CAS: 72140-17-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72140-17-1
Multi CAS
Yes
Molecular Formula
C3H10NNAO2S2
Molecular Weight
179.200000
Exact Mass
179.005065
InChI
InChI=1S/C3H7NS2.Na.2H2O/c1-4(2)3(5)6;;;/h1-2H3,(H,5,6);;2*1H2/q;+1;;/p-1
InChIKey
NQVBYQPOGVWUPK-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.88
TPSA
66.24

LogP / Solubility

WLOGP
-4.27
MLOGP
-3.76
XLogP3
-4.27
Consensus LogP
-4.1
Log S (ESOL)
1.74
Class (ESOL)
Highly soluble
Log S (Ali)
2.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.72
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.84

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
1.5

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