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CAS 2949-92-0 S-Methyl Methanethiosulfonate molecular structure lightbox
CAS RN: 2949-92-0

S-Methyl Methanethiosulfonate

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250609 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251128 1kg In stock Shanghai Inquiry
Batchno.20250928 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250309 500g In stock Shanghai, Chengdu Inquiry
Batchno.20250328 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTM1382
  • Purity/Analytical Methods: >97.0%(GC)
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2949-92-0 / methylsulfonylsulfanylmethane

Standard CAS: 2949-92-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2949-92-0
Multi CAS
No
Molecular Formula
C2H6O2S2
Molecular Weight
126.200000
Exact Mass
125.980922
InChI
InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKey
XYONNSVDNIRXKZ-UHFFFAOYSA-N

Physical Properties

Boiling Point
266.00 to 267.00 °C. @ 760.00 mm Hg
Physical Description
Clear yellow liquid with a stench
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
28.36
TPSA
34.14

LogP / Solubility

WLOGP
0.31
MLOGP
0.26
Consensus LogP
0.19
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.27

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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