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CAS 116797-51-4 DL-Cysteine Hydrochloride Monohydrate molecular structure lightbox
CAS RN: 116797-51-4

DL-Cysteine Hydrochloride Monohydrate

  • Product code: SSC-016703
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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: 100g
  • Available purity: ＞97%
  • 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 116797-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

116797-51-4 / 2-amino-3-sulfanylpropanoic acid;hydrate;hydrochloride

DL-Cysteine hydrochloride monohydrate | DL-Cysteine hydrochloride hydrate | RefChem:589936

Standard CAS: 116797-51-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116797-51-4
Multi CAS
Yes
Molecular Formula
C3H10ClNO3S
Molecular Weight
175.640000
Exact Mass
175.006992
SMILES
C(C(C(=O)O)N)S.O.Cl
InChI
InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2
InChIKey
QIJRTFXNRTXDIP-UHFFFAOYSA-N
Synonyms
DL-Cysteine hydrochloride monohydrate DL-Cysteine hydrochloride hydrate RefChem:589936 233-698-2 628-270-0

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
40.33
TPSA
94.82

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.95
XLogP3
-1.07
Consensus LogP
-1.03
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
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)
-4.55

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 (96.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (96.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (87.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye 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 P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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