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CAS 1001-58-7 3-Mercaptopropiononitrile molecular structure lightbox
CAS RN: 1001-58-7

3-Mercaptopropiononitrile

Product Availability

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6 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251205 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 10g Out of stock Inquiry
Batchno.20251114 1g Out of stock Inquiry
Batchno.20250214 250mg In stock Shanghai Inquiry
Batchno.20260507 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000428
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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 1001-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1001-58-7 / 3-sulfanylpropanenitrile

1001-58-7 | Propanenitrile, 3-mercapto- | 3-mercaptopropanenitrile

Standard CAS: 1001-58-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1001-58-7
Multi CAS
Yes
Molecular Formula
C3H5NS
Molecular Weight
87.150000
Exact Mass
87.014270
SMILES
C(CS)C#N
InChI
InChI=1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2
InChIKey
FCTXEFOUDMXDPD-UHFFFAOYSA-N
Synonyms
1001-58-7 Propanenitrile, 3-mercapto- 3-mercaptopropanenitrile 3-Mercaptopropiononitrile Ethanethiol, 2-cyano-

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.08
TPSA
23.79

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
0.2
Consensus LogP
0.58
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
Class (SILICOS-IT)
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)
-2.66

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
1

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (97.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (97.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
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

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