1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-
TL;DR: 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- (CAS 16597-36-7) is a chemical compound with molecular formula C7H14N2S and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-1,3-diazepane-2-thione
Also Known As: 1,3-dimethyl-1,3-diazepane-2-thione, N,N'-Dimethyltetramethylenethiourea, Hexahydro-1,3-dimethyl-1,3-diazepine, 1,3-DIAZEPIN-2-THIONE, HEXAHYDRO-1,3-DIMETHYL-, 1,3-dimethyl-1,3-diaza-2-cycloheptanethione
| Molecular Formula | C7H14N2S |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 38.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.08777 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 16597-36-7 |
|---|---|
| SMILES | CN1CCCCN(C1=S)C |
| InChIKey | FNTZFTBFBDSSGA-UHFFFAOYSA-N |
Product Overview
1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- (CAS 16597-36-7), with molecular formula C7H14N2S and molecular weight 158.09 g/mol. IUPAC: 1,3-dimethyl-1,3-diazepane-2-thione.
Chemical Property Profile of 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-
Property Insights of 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-. With a topological polar surface area (TPSA) of 38.6 Ų, 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- has 0 hydrogen bond donor(s) and 1 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 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-?
The CAS number of 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- is 16597-36-7.
What is the molecular formula of 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-?
The molecular formula of 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- is C7H14N2S.
What is the molecular weight of 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-?
The molecular weight of 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- is 158.09 g/mol.
Where can I buy 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-?
You can request a quote for 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazepin-2-thione, hexahydro-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.