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: 500g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2782-91-4 / 1,1,3,3-tetramethylthiourea
Basic Information
CAS
2782-91-4
Multi CAS
Yes
Molecular Formula
C5H12N2S
Molecular Weight
132.230000
Exact Mass
132.072120
InChI
InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3
InChIKey
MNOILHPDHOHILI-UHFFFAOYSA-N
Physical Properties
Melting Point
172 to 174 °F (NTP, 1992)
78-9 °C
Boiling Point
473 °F at 760 mmHg (NTP, 1992)
245 °C
Physical Description
1,1,3,3-tetramethyl-2-thiourea appears as white crystals. (NTP, 1992)
White solid; [CAMEO] Yellow solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
1
Molar refractivity
39.97
TPSA
6.48
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
0.5
Consensus LogP
0.41
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.25
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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N-Phenylthiourea
- CAS RN: 103-85-5
- Product Code: ICTP0237
- Purity/Analytical method: >98.0%(HPLC)(N)
