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CAS 116539-56-1 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL molecular structure lightbox
CAS RN: 116539-56-1

3-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 250mg / 1g / 5g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-016520
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116539-56-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

116539-56-1 / 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: 116539-56-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116539-56-1
Multi CAS
Yes
Molecular Formula
C8H13NOS
Molecular Weight
171.260000
Exact Mass
171.071785
SMILES
CNCCC(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
InChIKey
YEJVVFOJMOHFRL-UHFFFAOYSA-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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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