2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane

C14H22SSi — CID 150445494

IUPAC2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCc1ccc2c(c1)CCCS2
InChIInChI=1S/C14H22SSi/c1-16(2,3)10-8-12-6-7-14-13(11-12)5-4-9-15-14/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyHMRCYHWDOQOLLX-UHFFFAOYSA-N
MW250.48 g/mol
LogP4.61
Rot. Bonds3

About 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane

2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane (PubChem CID 150445494) has the molecular formula C14H22SSi and a molecular weight of 250.48 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
PubChem CID150445494
Molecular FormulaC14H22SSi
Molecular Weight250.48 g/mol
Exact Mass250.12
IUPAC Name2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCc1ccc2c(c1)CCCS2
InChIInChI=1S/C14H22SSi/c1-16(2,3)10-8-12-6-7-14-13(11-12)5-4-9-15-14/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyHMRCYHWDOQOLLX-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine
CID 115259640
6-(bromomethyl)-3,4-dihydro-2H-thiochromene
CID 116932395
[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-methylamino]methanethiol
CID 115228465
[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]methanol
CID 115229368
2-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]propanenitrile
CID 115130444
2-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]acetonitrile
CID 115131281
[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol
CID 115229206
N'-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl]oxamide
CID 115192143
N-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl]-N-methylcarbamoyl chloride
CID 115195091
N-(azetidin-3-ylmethyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)ethanamine
CID 115207833
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258750
N'-(3,4-dihydro-2H-thiochromen-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205876

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane (CID 150445494) is 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane is C[Si](C)(C)CCc1ccc2c(c1)CCCS2.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane?
The InChIKey is HMRCYHWDOQOLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22SSi/c1-16(2,3)10-8-12-6-7-14-13(11-12)5-4-9-15-14/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane?
2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane has a molecular weight of 250.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane is sourced from PubChem (CID 150445494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).