5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride

C10H14ClNOS — CID 53408302

IUPAC5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
SMILESCOc1cccc2c1CC(N)CS2.Cl
InChIInChI=1S/C10H13NOS.ClH/c1-12-9-3-2-4-10-8(9)5-7(11)6-13-10;/h2-4,7H,5-6,11H2,1H3;1H
InChIKeyFXNQPXSRGODJEO-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.09
Rot. Bonds1

About 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride

5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride (PubChem CID 53408302) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
PubChem CID53408302
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
SMILESCOc1cccc2c1CC(N)CS2.Cl
InChIInChI=1S/C10H13NOS.ClH/c1-12-9-3-2-4-10-8(9)5-7(11)6-13-10;/h2-4,7H,5-6,11H2,1H3;1H
InChIKeyFXNQPXSRGODJEO-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
CID 14330486
1-(4-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 117200321
8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine
CID 57021351
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
3-(4-methoxy-2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117199032
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
1-(5-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84624640
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84629194
5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
CID 105456525

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The IUPAC name of 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride (CID 53408302) is 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride.
What is the SMILES notation for 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The canonical SMILES for 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride is COc1cccc2c1CC(N)CS2.Cl.
What is the InChIKey of 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
The InChIKey is FXNQPXSRGODJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS.ClH/c1-12-9-3-2-4-10-8(9)5-7(11)6-13-10;/h2-4,7H,5-6,11H2,1H3;1H.
What are the key properties of 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride?
5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride has a molecular weight of 231.75 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride is sourced from PubChem (CID 53408302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).