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CAS 116539-55-0 (S)-3-(Methylamino)-1-(2-thienyl)-1-propanol molecular structure lightbox
CAS RN: 116539-55-0

(S)-3-(Methylamino)-1-(2-thienyl)-1-propanol

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250527 10g In stock Shanghai, Wuhan Inquiry
Batchno.20260103 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250206 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251009 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 1g In stock Shanghai, Shandong Inquiry
Batchno.20260416 5g In stock Shanghai Inquiry
  • Product code: SSC-016519
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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: 1g, 5g, 25g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116539-55-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shanghai Inquiry
25g >97% 3 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

116539-55-0 / (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol

(S)-(-)-3-(N-methylamino)-1-(2-thienyl)-1-propanol | (1S)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol | 3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (-)-

Standard CAS: 116539-55-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116539-55-0
Multi CAS
Yes
Molecular Formula
C8H13NOS
Molecular Weight
171.260000
Exact Mass
171.071785
SMILES
CNCC[C@@H](C1=CC=CS1)O
InChI
InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1
InChIKey
YEJVVFOJMOHFRL-ZETCQYMHSA-N
Synonyms
(S)-(-)-3-(N-methylamino)-1-(2-thienyl)-1-propanol (1S)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol 3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (-)- (S)-(-)-3-methylamino-1-(2-thienyl)propan-1-ol 43P2XE546O

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.82
TPSA
32.26

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (88.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H412 (88.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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