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CAS 117174-84-2 1-(3-CHLORO-4-METHYLPHENYL)-2-THIOUREA molecular structure lightbox
CAS RN: 117174-84-2

1-(3-CHLORO-4-METHYLPHENYL)-2-THIOUREA

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 1g In stock Shanghai Inquiry
Batchno.20250405 250mg In stock Shanghai Inquiry
Batchno.20250909 5g Out of stock Inquiry
  • Product code: SSC-017018
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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: ≥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 117174-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

117174-84-2 / (3-chloro-4-methylphenyl)thiourea

DTXSID60374012 | n-(3-chloro-4-methylphenyl)thiourea | RefChem:361297

Standard CAS: 117174-84-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117174-84-2
Multi CAS
No
Molecular Formula
C8H9ClN2S
Molecular Weight
200.690000
Exact Mass
200.017497
SMILES
CC1=C(C=C(C=C1)NC(=S)N)Cl
InChI
InChI=1S/C8H9ClN2S/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKey
WOUSOFAZMILXJW-UHFFFAOYSA-N
Synonyms
DTXSID60374012 n-(3-chloro-4-methylphenyl)thiourea RefChem:361297 DTXCID60325044 1-(3-chloro-4-methylphenyl)thiourea

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
56.6
TPSA
38.05

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2.7
Consensus LogP
2.34
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.31

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)
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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