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CAS 1220-00-4 1,3-Bis(4-chlorophenyl)thiourea molecular structure lightbox
CAS RN: 1220-00-4

1,3-Bis(4-chlorophenyl)thiourea

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 1g In stock Inquiry
Batchno.20251204 25g In stock Inquiry
Batchno.20251129 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-024914
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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: ≥98%
  • 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 1220-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

1220-00-4 / 1,3-bis(4-chlorophenyl)thiourea

Standard CAS: 1220-00-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1220-00-4
Multi CAS
No
Molecular Formula
C13H10Cl2N2S
Molecular Weight
297.200000
Exact Mass
295.994175
SMILES
C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
SYJZYFOTCABQES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
82.75
TPSA
24.06

LogP / Solubility

WLOGP
4.8
MLOGP
4.24
XLogP3
3.4
Consensus LogP
4.15
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501

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