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CAS 1227-45-8 1,3-Bis(4-methoxyphenyl)thiourea molecular structure lightbox
CAS RN: 1227-45-8

1,3-Bis(4-methoxyphenyl)thiourea

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251004 1g In stock Inquiry
Batchno.20251210 25g In stock Inquiry
Batchno.20260211 5g In stock Inquiry
  • Product code: SSC-025832
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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 1227-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

1227-45-8 / 1,3-bis(4-methoxyphenyl)thiourea

Standard CAS: 1227-45-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1227-45-8
Multi CAS
No
Molecular Formula
C15H16N2O2S
Molecular Weight
288.400000
Exact Mass
288.093249
SMILES
COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16N2O2S/c1-18-13-7-3-11(4-8-13)16-15(20)17-12-5-9-14(19-2)10-6-12/h3-10H,1-2H3,(H2,16,17,20)
InChIKey
RGRJEERVXALLTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.83
TPSA
42.52

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
2.1
Consensus LogP
2.9
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
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] H410 (97.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501

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