6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene

C10H11ClOS — CID 171787914

IUPAC6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene
SMILESCOc1cc2c(cc1Cl)CCCS2
InChIInChI=1S/C10H11ClOS/c1-12-9-6-10-7(5-8(9)11)3-2-4-13-10/h5-6H,2-4H2,1H3
InChIKeyLFWJJOFYLVMWFE-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.39
Rot. Bonds1

About 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene

6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene (PubChem CID 171787914) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene
PubChem CID171787914
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene
SMILESCOc1cc2c(cc1Cl)CCCS2
InChIInChI=1S/C10H11ClOS/c1-12-9-6-10-7(5-8(9)11)3-2-4-13-10/h5-6H,2-4H2,1H3
InChIKeyLFWJJOFYLVMWFE-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130707024
6,7-difluoro-3,4-dihydro-2H-thiochromene
CID 171787807
N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115258276
5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
CID 59274116
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
methyl 7-chloro-6-methoxy-3,4-dihydro-2H-thiochromene-5-carboxylate
CID 177336602
methyl 2-(3,4-dihydro-2H-thiochromen-6-ylamino)acetate
CID 115232712
1-[2-[(6-methoxy-3,4-dihydro-2H-thiochromen-7-yl)oxy]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 70512318
3,5,6,7-tetrahydro-2H-benzo[f][1]benzothiol-8-one
CID 18934697
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
7,8-dimethoxy-2,3-dihydro-1-benzothiepine-4-carbonyl chloride
CID 10356554
2-chloro-4-ethenyl-1-methoxybenzene
CID 11147958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene?
The IUPAC name of 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene (CID 171787914) is 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene is COc1cc2c(cc1Cl)CCCS2.
What is the InChIKey of 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene?
The InChIKey is LFWJJOFYLVMWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c1-12-9-6-10-7(5-8(9)11)3-2-4-13-10/h5-6H,2-4H2,1H3.
What are the key properties of 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene?
6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene has a molecular weight of 214.72 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 171787914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).