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CAS 118488-08-7 1-(Thiophen-3-yl)ethanamine molecular structure lightbox
CAS RN: 118488-08-7

1-(Thiophen-3-yl)ethanamine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250222 100mg In stock Inquiry
Batchno.20250408 1g In stock Inquiry
Batchno.20260520 250mg In stock Inquiry
Batchno.20250328 5g In stock Inquiry
  • Product code: SSC-018257
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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 118488-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

118488-08-7 / 1-thiophen-3-ylethanamine

1-(thiophen-3-yl)ethan-1-amine | DTXSID20557980 | RefChem:227170

Standard CAS: 118488-08-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118488-08-7
Multi CAS
No
Molecular Formula
C6H9NS
Molecular Weight
127.210000
Exact Mass
127.045570
SMILES
CC(C1=CSC=C1)N
InChI
InChI=1S/C6H9NS/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
InChIKey
KXCGQPCMPZULFH-UHFFFAOYSA-N
Synonyms
1-(thiophen-3-yl)ethan-1-amine DTXSID20557980 RefChem:227170 DTXCID90508762 692-912-6

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.92
TPSA
26.02

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
0.9
Consensus LogP
1.41
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.24

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 Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H227 (33.3%): Combustible liquid [Warning Flammable liquids] H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501

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