1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea
TL;DR: 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea (CAS 96130-87-9) is a chemical compound with molecular formula C12H17N3S and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(butan-2-ylideneamino)-3-(4-methylphenyl)thiourea
Also Known As: butan-2-one-(4-p-tolyl thiosemicarbazone), 1-(butan-2-ylideneamino)-3-(4-methylphenyl)thiourea
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 3.06732 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 381.75528 |
Chemical Identifiers
| CAS Number | 96130-87-9 |
|---|---|
| SMILES | CCC(=NNC(=S)NC1=CC=C(C=C1)C)C |
Product Overview
1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea (CAS 96130-87-9), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: 1-(butan-2-ylideneamino)-3-(4-methylphenyl)thiourea.
Chemical Property Profile of 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea
Property Insights of 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea
The XLogP value of 3.06732 indicates that 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.42 Ų, 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea?
The CAS number of 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea is 96130-87-9.
What is the molecular formula of 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea?
The molecular formula of 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea is C12H17N3S.
What is the molecular weight of 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea?
The molecular weight of 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea is 235.11 g/mol.
Where can I buy 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea?
You can request a quote for 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Butan-2-ylideneamino)-3-(4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.