4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol

C10H11Cl2NOS — CID 82624612

IUPAC4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol
SMILESNCC1(O)CCSc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H11Cl2NOS/c11-7-3-6-9(4-8(7)12)15-2-1-10(6,14)5-13/h3-4,14H,1-2,5,13H2
InChIKeyGCBKBMJHVPJIGV-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.64
Rot. Bonds1

About 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol

4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol (PubChem CID 82624612) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol
PubChem CID82624612
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC Name4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol
SMILESNCC1(O)CCSc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H11Cl2NOS/c11-7-3-6-9(4-8(7)12)15-2-1-10(6,14)5-13/h3-4,14H,1-2,5,13H2
InChIKeyGCBKBMJHVPJIGV-UHFFFAOYSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol?
The IUPAC name of 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol (CID 82624612) is 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol.
What is the SMILES notation for 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol?
The canonical SMILES for 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol is NCC1(O)CCSc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol?
The InChIKey is GCBKBMJHVPJIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c11-7-3-6-9(4-8(7)12)15-2-1-10(6,14)5-13/h3-4,14H,1-2,5,13H2.
What are the key properties of 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol?
4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol has a molecular weight of 264.18 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6,7-dichloro-2,3-dihydrothiochromen-4-ol is sourced from PubChem (CID 82624612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).