ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene

C12H17FS — CID 144911983

IUPACethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
SMILESCC.CC1CCSc2cc(F)ccc21
InChIInChI=1S/C10H11FS.C2H6/c1-7-4-5-12-10-6-8(11)2-3-9(7)10;1-2/h2-3,6-7H,4-5H2,1H3;1-2H3
InChIKeyWKLXBMQFWZOOTN-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.45
Rot. Bonds

About ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene

ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene (PubChem CID 144911983) has the molecular formula C12H17FS and a molecular weight of 212.33 g/mol. Its IUPAC name is ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Nameethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
PubChem CID144911983
Molecular FormulaC12H17FS
Molecular Weight212.33 g/mol
Exact Mass212.10
IUPAC Nameethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
SMILESCC.CC1CCSc2cc(F)ccc21
InChIInChI=1S/C10H11FS.C2H6/c1-7-4-5-12-10-6-8(11)2-3-9(7)10;1-2/h2-3,6-7H,4-5H2,1H3;1-2H3
InChIKeyWKLXBMQFWZOOTN-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911984
ethane;4-methyl-3,4-dihydro-2H-thiochromene-7-carbonitrile
CID 144911990
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
ethane;4-methyl-3,4-dihydro-2H-thiochromene
CID 143216887
(4R)-4-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid
CID 59089463
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
5-methyl-2,3,4,5-tetrahydro-1-benzothiepine
CID 19935526
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
(11S)-3,8-difluoro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 155174987
7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43155199
3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 63821756

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene (CID 144911983) is ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene is CC.CC1CCSc2cc(F)ccc21.
What is the InChIKey of ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene?
The InChIKey is WKLXBMQFWZOOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FS.C2H6/c1-7-4-5-12-10-6-8(11)2-3-9(7)10;1-2/h2-3,6-7H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene?
ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene has a molecular weight of 212.33 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 144911983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).