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CAS 10193-95-0 1,4-Butanediol Bis(thioglycolate) molecular structure lightbox
CAS RN: 10193-95-0

1,4-Butanediol Bis(thioglycolate)

  • Product code: SSC-003039
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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: 25g
  • 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 10193-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

10193-95-0 / 4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate

Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester | Acetic acid, mercapto-, 1,4-butanediyl ester | 1,4-Butanediol dithioglycolate

Standard CAS: 10193-95-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10193-95-0
Multi CAS
Yes
Molecular Formula
C8H14O4S2
Molecular Weight
238.300000
Exact Mass
238.033351
SMILES
C(CCOC(=O)CS)COC(=O)CS
InChI
InChI=1S/C8H14O4S2/c9-7(5-13)11-3-1-2-4-12-8(10)6-14/h13-14H,1-6H2
InChIKey
IPNDIMIIGZSERC-UHFFFAOYSA-N
Synonyms
Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester Acetic acid, mercapto-, 1,4-butanediyl ester 1,4-Butanediol dithioglycolate Tetramethylene mercaptoacetate 1,4-Butanediol, bis(mercaptoacetate)

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
58.86
TPSA
52.6

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
1.4
Consensus LogP
0.91
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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