The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
6-Methoxy-thiochroman-3-ylamine hydrochloride , CAS No.1038770-94-3
Basic Description
Synonyms
1038770-94-3 | 6-Methoxythiochroman-3-amine hydrochloride | 6-METHOXY-THIOCHROMAN-3-YLAMINE HYDROCHLORIDE | 6-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride | SCHEMBL752467 | DTXSID00620020 | 6-methoxythiochroman-3-ylamine hcl | MFCD11505994 | SB30323 | 6-Methoxy
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiochromanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiochromanes
Alternative Parents
1-benzothiopyrans Anisoles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Thiopyrans Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Benzenoid - Thiopyran - Ether - Thioether - Organic nitrogen compound - Primary amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiochromanes. These are organic heterocyclic compounds containing a thiochromane moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
6-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
INCHI
InChI=1S/C10H13NOS.ClH/c1-12-9-2-3-10-7(5-9)4-8(11)6-13-10;/h2-3,5,8H,4,6,11H2,1H3;1H
InChIKey
GAJKHFIBLLNHHY-UHFFFAOYSA-N
Smiles
COC1=CC2=C(C=C1)SCC(C2)N.Cl
Isomeric SMILES
COC1=CC2=C(C=C1)SCC(C2)N.Cl
Molecular Weight
231.74
Reaxy-Rn
10375743
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10375743&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
231.740 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
231.048 Da
Monoisotopic Mass
231.048 Da
Topological Polar Surface Area
60.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
176.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
