CAS RN: 1107606-68-7
S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methanesulfonate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-011703
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 25g, 100g
- Available purity: ≥96%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥96% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥96% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥96% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥96% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥96% | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥96% | 5 In Stock | Shanghai | Inquiry |
1107606-68-7 / methanesulfonic acid;4,4,5,5,5-pentafluoropentyl carbamimidothioate
methanesulfonic acid;4,4,5,5,5-pentafluoropentyl carbamimidothioate | RefChem:811535 | 862-750-2
Basic Information
CAS
1107606-68-7
Multi CAS
Yes
Molecular Formula
C7H13F5N2O3S2
Molecular Weight
332.300000
Exact Mass
332.028775
SMILES
CS(=O)(=O)O.C(CC(C(F)(F)F)(F)F)CSC(=N)N
InChI
InChI=1S/C6H9F5N2S.CH4O3S/c7-5(8,6(9,10)11)2-1-3-14-4(12)13;1-5(2,3)4/h1-3H2,(H3,12,13);1H3,(H,2,3,4)
InChIKey
GUWMKWXFPKCYQI-UHFFFAOYSA-N
Synonyms
methanesulfonic acid;4,4,5,5,5-pentafluoropentyl carbamimidothioate
RefChem:811535
862-750-2
S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methanesulfonate
MFCD22423109
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
62.08
TPSA
104.24
LogP / Solubility
WLOGP
2.09
MLOGP
1.86
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501
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