![(Benzo[b]pyren-6-ylmethylideneamino)thiourea structure](/static/products/6404/64048-70-0.webp)
(Benzo[b]pyren-6-ylmethylideneamino)thiourea
TL;DR: (Benzo[b]pyren-6-ylmethylideneamino)thiourea (CAS 64048-70-0) is a chemical compound with molecular formula C22H15N3S and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(benzo[b]pyren-6-ylmethylideneamino)thiourea
Also Known As: 3,4-Benzpyrene-5-aldehyde thiosemicarbazone, Benzo(a)pyrene-6-carboxaldehyde thiosemicarbazone, Hydrazinecarbothioamide, 2-(benzo[a]pyren-6-ylmethylene)-, Hydrazinecarbothioamide,2-(benzo[a]pyren-6-ylmethylene)- (9CI)
| Molecular Formula | C22H15N3S |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 4.9043 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.09866 |
| Heavy Atoms | 26 |
| Complexity | 1321.8071 |
Chemical Identifiers
| CAS Number | 64048-70-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2C=NNC(=S)N)C=CC5=CC=CC(=C54)C=C3 |
Product Overview
(Benzo[b]pyren-6-ylmethylideneamino)thiourea (CAS 64048-70-0), with molecular formula C22H15N3S and molecular weight 353.10 g/mol. IUPAC: (benzo[b]pyren-6-ylmethylideneamino)thiourea.
Chemical Property Profile of (Benzo[b]pyren-6-ylmethylideneamino)thiourea
Property Insights of (Benzo[b]pyren-6-ylmethylideneamino)thiourea
The XLogP value of 4.9043 indicates that (Benzo[b]pyren-6-ylmethylideneamino)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.41 Ų, (Benzo[b]pyren-6-ylmethylideneamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Benzo[b]pyren-6-ylmethylideneamino)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 (Benzo[b]pyren-6-ylmethylideneamino)thiourea?
The CAS number of (Benzo[b]pyren-6-ylmethylideneamino)thiourea is 64048-70-0.
What is the molecular formula of (Benzo[b]pyren-6-ylmethylideneamino)thiourea?
The molecular formula of (Benzo[b]pyren-6-ylmethylideneamino)thiourea is C22H15N3S.
What is the molecular weight of (Benzo[b]pyren-6-ylmethylideneamino)thiourea?
The molecular weight of (Benzo[b]pyren-6-ylmethylideneamino)thiourea is 353.10 g/mol.
Where can I buy (Benzo[b]pyren-6-ylmethylideneamino)thiourea?
You can request a quote for (Benzo[b]pyren-6-ylmethylideneamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzo[b]pyren-6-ylmethylideneamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for (Benzo[b]pyren-6-ylmethylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.