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CAS 101993-01-5 3-THIOPHENAMINE, TETRAHYDRO- molecular structure lightbox
CAS RN: 101993-01-5

3-THIOPHENAMINE, TETRAHYDRO-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 100mg In stock Shanghai Inquiry
Batchno.20250711 1g In stock Shanghai Inquiry
Batchno.20250930 250mg In stock Shanghai Inquiry
  • Product code: SSC-003158
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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 101993-01-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

101993-01-5 / thiolan-3-amine

Thiolan-3-amine | DTXSID30335110 | RefChem:897823

Standard CAS: 101993-01-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101993-01-5
Multi CAS
Yes
Molecular Formula
C4H9NS
Molecular Weight
103.190000
Exact Mass
103.045570
SMILES
C1CSCC1N
InChI
InChI=1S/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2
InChIKey
GBNRIMMKLMTDLW-UHFFFAOYSA-N
Synonyms
Thiolan-3-amine DTXSID30335110 RefChem:897823 DTXCID90286199 841-229-3

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
29.92
TPSA
26.02

LogP / Solubility

WLOGP
0.45
MLOGP
0.38
XLogP3
0.1
Consensus LogP
0.31
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-3.03

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)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids] H227 (66.7%): Combustible liquid [Warning Flammable liquids] H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501

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