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CAS 103-85-5 N-Phenylthiourea molecular structure lightbox
CAS RN: 103-85-5

N-Phenylthiourea

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13 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250818 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260119 1g Out of stock Inquiry
Batchno.20260618 25g In stock Shenzhen Inquiry
Batchno.20260213 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
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Batchno.20251211 100g In stock Shandong, Hebei Inquiry
Batchno.20250911 1kg Out of stock 5-7 business days Inquiry
Batchno.20251110 25g In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20250420 500g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251001 5g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 100g In stock Inquiry
Batchno.20260331 25g In stock Inquiry
Batchno.20260114 500g In stock Inquiry
Batchno.20250210 5g In stock Inquiry
  • Product code: ICTP0237
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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103-85-5 / phenylthiourea

Phenylthiourea | 1-Phenylthiourea | N-Phenylthiourea

Standard CAS: 103-85-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
103-85-5
Multi CAS
Yes
Molecular Formula
C7H8N2S
Molecular Weight
152.220000
Exact Mass
152.040819
SMILES
C1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey
FULZLIGZKMKICU-UHFFFAOYSA-N
Synonyms
Phenylthiourea 1-Phenylthiourea N-Phenylthiourea 1-PHENYL-2-THIOUREA Phenylthiocarbamide

Physical Properties

Melting Point
298.4 °F (EPA, 1998) 154 °C
Density
1.3 (EPA, 1998) - Denser than water; will sink 1.3
Physical Description
Needle-like crystals. Used in the manufacture of rodenticides and in medical genetics. (EPA, 1998) Solid; [Merck Index] White or light brown powder
Appearance
Needles from water; prisms from alcohol Needles
State
Solid
Storage Conditions
Rooms used only for storage should be soundly constructed and fitted with secure locks. Floors should be kept clear and the pesticides clearly identified. /Pesticides/ Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place.

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
46.85
TPSA
38.05

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
0.7
Consensus LogP
1.07
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-2.7

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H300 (94.9%): Fatal if swallowed [Danger Acute toxicity, oral] H317 (89.7%): May cause an allergic skin reaction [Warning Sensitization, Skin] H300: Fatal if swallowed [Danger Acute toxicity, oral] H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501

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