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CAS 16096-97-2 L-Dithiothreitol molecular structure lightbox
CAS RN: 16096-97-2

L-Dithiothreitol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-068730
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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 16096-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

16096-97-2 / (2R,3R)-1,4-bis(sulfanyl)butane-2,3-diol

Standard CAS: 16096-97-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16096-97-2
Multi CAS
No
Molecular Formula
C4H10O2S2
Molecular Weight
154.300000
Exact Mass
154.012222
SMILES
C([C@@H]([C@H](CS)O)O)S
InChI
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
InChIKey
VHJLVAABSRFDPM-IMJSIDKUSA-N

Physical Properties

Melting Point
42-43 °C 42.50 °C. @ 760.00 mm Hg
Boiling Point
BP: 115-116 °C at 1 mm Hg Can be sublimed at 37 °C and 0.005 mm pressure. BP: 125-130 at 2 mm Hg
Physical Description
Slightly hygroscopic solid; [Merck Index] White powder; Solid
Appearance
Needles from ether Solid
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature 2 - 8 °C. Keep in a dry place.

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
39.72
TPSA
40.46

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.39
XLogP3
-0.4
Consensus LogP
-0.41
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (34%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (66%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (63.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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