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CAS 104163-35-1 (3-METHYL-2-THIENYL)METHYLAMINE molecular structure lightbox
CAS RN: 104163-35-1

(3-METHYL-2-THIENYL)METHYLAMINE

  • Product code: SSC-005930
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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: 5g
  • 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 104163-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

104163-35-1 / (3-methylthiophen-2-yl)methanamine

(3-methylthiophen-2-yl)methanamine | DTXSID10384025 | RefChem:207767

Standard CAS: 104163-35-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104163-35-1
Multi CAS
Yes
Molecular Formula
C6H9NS
Molecular Weight
127.210000
Exact Mass
127.045570
SMILES
CC1=C(SC=C1)CN
InChI
InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
InChIKey
SWZNXCABBUKIPZ-UHFFFAOYSA-N
Synonyms
(3-methylthiophen-2-yl)methanamine DTXSID10384025 RefChem:207767 DTXCID80335049 679-009-2

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
36.95
TPSA
26.02

LogP / Solubility

WLOGP
1.52
MLOGP
1.32
XLogP3
0.9
Consensus LogP
1.25
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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