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CAS 1004-00-8 2-Amino-4-chlorobenzenethiol molecular structure lightbox
CAS RN: 1004-00-8

2-Amino-4-chlorobenzenethiol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-000958
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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: 5g
  • 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 1004-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1004-00-8 / 2-amino-4-chlorobenzenethiol

2-Amino-4-chlorobenzenethiol | DTXSID00143244 | RefChem:85193

Standard CAS: 1004-00-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1004-00-8
Multi CAS
Yes
Molecular Formula
C6H6ClNS
Molecular Weight
159.640000
Exact Mass
158.990948
SMILES
C1=CC(=C(C=C1Cl)N)S
InChI
InChI=1S/C6H6ClNS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKey
NGIRMPARLVGMPX-UHFFFAOYSA-N
Synonyms
2-Amino-4-chlorobenzenethiol DTXSID00143244 RefChem:85193 DTXCID4065735 2-Amino-4-chlorothiophenol

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.12
TPSA
26.02

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.4
Consensus LogP
2.18
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.12

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
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (12.8%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (17%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (83%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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