5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine

C11H13Cl2NS — CID 43539036

IUPAC5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CC(C)Sc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C11H13Cl2NS/c1-6-5-9(14-2)10-7(12)3-4-8(13)11(10)15-6/h3-4,6,9,14H,5H2,1-2H3
InChIKeyMBMKJBZXMIHRDN-UHFFFAOYSA-N
MW262.20 g/mol
LogP4.14
Rot. Bonds1

About 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine

5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539036) has the molecular formula C11H13Cl2NS and a molecular weight of 262.20 g/mol. Its IUPAC name is 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539036
Molecular FormulaC11H13Cl2NS
Molecular Weight262.20 g/mol
Exact Mass261.01
IUPAC Name5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CC(C)Sc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C11H13Cl2NS/c1-6-5-9(14-2)10-7(12)3-4-8(13)11(10)15-6/h3-4,6,9,14H,5H2,1-2H3
InChIKeyMBMKJBZXMIHRDN-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43539036) is 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine is CNC1CC(C)Sc2c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is MBMKJBZXMIHRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NS/c1-6-5-9(14-2)10-7(12)3-4-8(13)11(10)15-6/h3-4,6,9,14H,5H2,1-2H3.
What are the key properties of 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 262.20 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).