4-allyl-1-thiocarbamoylthiosemicarbazide
TL;DR: 4-allyl-1-thiocarbamoylthiosemicarbazide (CAS 2113-72-6) is a chemical compound with molecular formula C5H10N4S2 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(carbamothioylamino)-3-prop-2-enylthiourea
Also Known As: 4-allyl-1-thiocarbamoylthiosemicarbazide, 1-(carbamothioylamino)-3-prop-2-enylthiourea, N1-allylhydrazine-1,2-bis(carbothioamide), 1,2-Hydrazinedicarbothioamide, N-2-propenyl-, 1,2-Hydrazinedicarbothioamide, N1-2-propen-1-yl-
| Molecular Formula | C5H10N4S2 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | -0.6153 |
| Topological Polar Surface Area | 62.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.03468 |
| Heavy Atoms | 11 |
| Complexity | 167.86536 |
Chemical Identifiers
| CAS Number | 2113-72-6 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=S)N |
Product Overview
4-allyl-1-thiocarbamoylthiosemicarbazide (CAS 2113-72-6), with molecular formula C5H10N4S2 and molecular weight 190.03 g/mol. IUPAC: 1-(carbamothioylamino)-3-prop-2-enylthiourea.
Chemical Property Profile of 4-allyl-1-thiocarbamoylthiosemicarbazide
Property Insights of 4-allyl-1-thiocarbamoylthiosemicarbazide
The XLogP value of -0.6153 indicates that 4-allyl-1-thiocarbamoylthiosemicarbazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-allyl-1-thiocarbamoylthiosemicarbazide. Following Lipinski's Rule of Five, 4-allyl-1-thiocarbamoylthiosemicarbazide has 4 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 4-allyl-1-thiocarbamoylthiosemicarbazide?
The CAS number of 4-allyl-1-thiocarbamoylthiosemicarbazide is 2113-72-6.
What is the molecular formula of 4-allyl-1-thiocarbamoylthiosemicarbazide?
The molecular formula of 4-allyl-1-thiocarbamoylthiosemicarbazide is C5H10N4S2.
What is the molecular weight of 4-allyl-1-thiocarbamoylthiosemicarbazide?
The molecular weight of 4-allyl-1-thiocarbamoylthiosemicarbazide is 190.03 g/mol.
Where can I buy 4-allyl-1-thiocarbamoylthiosemicarbazide?
You can request a quote for 4-allyl-1-thiocarbamoylthiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-allyl-1-thiocarbamoylthiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-1-thiocarbamoylthiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.