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CAS 614-10-8 4-(2-METHYLPHENYL)-3-THIOSEMICARBAZIDE molecular structure lightbox
CAS RN: 614-10-8

4-(2-METHYLPHENYL)-3-THIOSEMICARBAZIDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250522 10g In stock Inquiry
Batchno.20260515 1g In stock Inquiry
Batchno.20250801 25g In stock Inquiry
Batchno.20250712 5g In stock Inquiry
  • Product code: SSC-170253
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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: 25g
  • 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 614-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Hong Kong Inquiry

614-10-8 / 1-amino-3-(2-methylphenyl)thiourea

Standard CAS: 614-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
614-10-8
Multi CAS
Yes
Molecular Formula
C8H11N3S
Molecular Weight
181.260000
Exact Mass
181.067369
InChI
InChI=1S/C8H11N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)
InChIKey
QCMQZMITIOLXFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
54.72
TPSA
50.08

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.89
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.01

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

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