![CAS 160982-13-8 (S)-6-Chloro-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazin-4-ol 1,1-dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160982-13-8.gif)
CAS RN: 160982-13-8
(S)-6-Chloro-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazin-4-ol 1,1-dioxide
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.20250817 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS160982-13-8
- Purity/Analytical Methods: >99.0%
160982-13-8 / (4S)-6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
Basic Information
CAS
160982-13-8
Multi CAS
No
Molecular Formula
C10H14ClNO4S2
Molecular Weight
311.800000
Exact Mass
311.005278
SMILES
COCCCN1C[C@H](C2=C(S1(=O)=O)SC(=C2)Cl)O
InChI
InChI=1S/C10H14ClNO4S2/c1-16-4-2-3-12-6-8(13)7-5-9(11)17-10(7)18(12,14)15/h5,8,13H,2-4,6H2,1H3/t8-/m1/s1
InChIKey
FMNGDEKOOMHKNT-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.54
TPSA
66.84
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.2
Consensus LogP
1.33
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-3.57
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
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
Customers Also Viewed
-
![CAS 161005-84-1 (S)-N,N-DIMETHYL-[3-(2-THIENYL)-3-(1-NAPHTHYLOXY)PROPYL]AMINE–PHOSPHORIC ACID (1:1) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(S)-N,N-DIMETHYL-[3-(2-THIENYL)-3-(1-NAPHTHYLOXY)PROPYL]AMINE–PHOSPHORIC ACID (1:1)
- CAS RN: 161005-84-1
- Product Code: starshine_CAS161005-84-1
- Purity/Analytical method: >99.0%
-
10-methyl-9-(phenoxycarbonyl) Acridinium (trifluoromethylsulfonate)
- CAS RN: 161006-14-0
- Product Code: starshine_CAS161006-14-0
- Purity/Analytical method: >99.0%
-
-
Hosenkoside M
- CAS RN: 161016-51-9
- Product Code: starshine_CAS161016-51-9
- Purity/Analytical method: >99.0%
-
-
5-FLUORO-8-QUINOLINAMINE
- CAS RN: 161038-18-2
- Product Code: starshine_CAS161038-18-2
- Purity/Analytical method: >99.0%
![CAS 161005-84-1 (S)-N,N-DIMETHYL-[3-(2-THIENYL)-3-(1-NAPHTHYLOXY)PROPYL]AMINE–PHOSPHORIC ACID (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/161005-84-1.gif)
