8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine

C10H11BrClNS — CID 130598051

IUPAC8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCC1SCc2c(Br)ccc(Cl)c2C1N
InChIInChI=1S/C10H11BrClNS/c1-5-10(13)9-6(4-14-5)7(11)2-3-8(9)12/h2-3,5,10H,4,13H2,1H3
InChIKeyQVERGHQLHDSFFI-UHFFFAOYSA-N
MW292.63 g/mol
LogP3.74
Rot. Bonds

About 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine

8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 130598051) has the molecular formula C10H11BrClNS and a molecular weight of 292.63 g/mol. Its IUPAC name is 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID130598051
Molecular FormulaC10H11BrClNS
Molecular Weight292.63 g/mol
Exact Mass290.95
IUPAC Name8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCC1SCc2c(Br)ccc(Cl)c2C1N
InChIInChI=1S/C10H11BrClNS/c1-5-10(13)9-6(4-14-5)7(11)2-3-8(9)12/h2-3,5,10H,4,13H2,1H3
InChIKeyQVERGHQLHDSFFI-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.63
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,9-dichloro-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82888560
9-bromo-6-fluoro-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82885595
(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
CID 131076803
5,8-dichloro-3-methyl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82888876
7,8-difluoro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886352
(5R)-9-bromo-6-methoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82887754
5,8-dichloro-3,3-dimethyl-1,4-dihydroisothiochromen-4-amine
CID 82887456
5-bromo-4-chloro-2-(3-methyl-1,4-dithian-2-yl)pyrimidine
CID 115385596
(5S)-6-chloro-9-fluoro-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 103052048
8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
CID 130934873
7-chloro-8-fluoro-N,3-dimethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 102864764
8-bromo-5-fluoro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 105356548

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 130598051) is 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine is CC1SCc2c(Br)ccc(Cl)c2C1N.
What is the InChIKey of 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is QVERGHQLHDSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNS/c1-5-10(13)9-6(4-14-5)7(11)2-3-8(9)12/h2-3,5,10H,4,13H2,1H3.
What are the key properties of 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine?
8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 292.63 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 130598051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).