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CAS 1637-71-4 S-SULFO-L-CYSTEINE SODIUM SALT molecular structure lightbox
CAS RN: 1637-71-4

S-SULFO-L-CYSTEINE SODIUM SALT

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1637-71-4
  • Purity/Analytical Methods: >99.0%
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1637-71-4 / (2R)-2-amino-3-sulfosulfanylpropanoic acid

Standard CAS: 1637-71-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1637-71-4
Multi CAS
No
Molecular Formula
C3H7NO5S2
Molecular Weight
201.200000
Exact Mass
200.976565
SMILES
C([C@@H](C(=O)O)N)SS(=O)(=O)O
InChI
InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey
NOKPBJYHPHHWAN-REOHCLBHSA-N

Physical Properties

Melting Point
170 - 171 °C
Physical Description
White powder; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
39.62
TPSA
117.69

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.94
XLogP3
-4
Consensus LogP
-2
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.7

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

Safety & Transport

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

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