7-chloro-2-methyl-4H-thiochromene

C10H9ClS — CID 163521577

IUPAC7-chloro-2-methyl-4H-thiochromene
SMILESCC1=CCc2ccc(Cl)cc2S1
InChIInChI=1S/C10H9ClS/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2,4-6H,3H2,1H3
InChIKeyDLGZPFOTXXAHJC-UHFFFAOYSA-N
MW196.70 g/mol
LogP3.89
Rot. Bonds

About 7-chloro-2-methyl-4H-thiochromene

7-chloro-2-methyl-4H-thiochromene (PubChem CID 163521577) has the molecular formula C10H9ClS and a molecular weight of 196.70 g/mol. Its IUPAC name is 7-chloro-2-methyl-4H-thiochromene.

Molecular Properties

Compound Name7-chloro-2-methyl-4H-thiochromene
PubChem CID163521577
Molecular FormulaC10H9ClS
Molecular Weight196.70 g/mol
Exact Mass196.01
IUPAC Name7-chloro-2-methyl-4H-thiochromene
SMILESCC1=CCc2ccc(Cl)cc2S1
InChIInChI=1S/C10H9ClS/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2,4-6H,3H2,1H3
InChIKeyDLGZPFOTXXAHJC-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,7-trichlorothianthrene
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6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene
CID 89134096
1-(2-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
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3,7-dichloro-10H-phenothiazine;hydrochloride
CID 135325177
azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene
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3,8-dichlorobenzo[c][1,2]benzodithiine
CID 3713861
2-[(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine
CID 29652
2-(7-chloro-9H-thioxanthen-2-yl)propanenitrile
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5-chloro-3-(2-methoxyphenyl)-1H-indene
CID 59025516

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-4H-thiochromene?
The IUPAC name of 7-chloro-2-methyl-4H-thiochromene (CID 163521577) is 7-chloro-2-methyl-4H-thiochromene.
What is the SMILES notation for 7-chloro-2-methyl-4H-thiochromene?
The canonical SMILES for 7-chloro-2-methyl-4H-thiochromene is CC1=CCc2ccc(Cl)cc2S1.
What is the InChIKey of 7-chloro-2-methyl-4H-thiochromene?
The InChIKey is DLGZPFOTXXAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClS/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2,4-6H,3H2,1H3.
What are the key properties of 7-chloro-2-methyl-4H-thiochromene?
7-chloro-2-methyl-4H-thiochromene has a molecular weight of 196.70 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-4H-thiochromene is sourced from PubChem (CID 163521577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).