ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane

C11H19PS — CID 143997008

IUPACethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane
SMILESCC.Cc1sc2c(c1P)CCCC2
InChIInChI=1S/C9H13PS.C2H6/c1-6-9(10)7-4-2-3-5-8(7)11-6;1-2/h2-5,10H2,1H3;1-2H3
InChIKeyQJWCTHOBZHBJMT-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.46
Rot. Bonds

About ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane

ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane (PubChem CID 143997008) has the molecular formula C11H19PS and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane.

Molecular Properties

Compound Nameethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane
PubChem CID143997008
Molecular FormulaC11H19PS
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Nameethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane
SMILESCC.Cc1sc2c(c1P)CCCC2
InChIInChI=1S/C9H13PS.C2H6/c1-6-9(10)7-4-2-3-5-8(7)11-6;1-2/h2-5,10H2,1H3;1-2H3
InChIKeyQJWCTHOBZHBJMT-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene;ethane
CID 90932941
2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 20676172
1-(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 86155962
2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine
CID 142603261
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 129040041
methyl 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 59887387
15,16-dibromo-17-thiabicyclo[12.2.1]heptadeca-1(16),14-diene
CID 10525488
1-chloro-3-methyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 133059990
1-fluoro-3-methyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 133059066
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 123704110
5-methyl-4-oxa-8-thia-6-azatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one
CID 4633853
ethane;2,3,4,8-tetrahydro-1H-cyclohepta[b][1]benzothiole
CID 143281168

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane?
The IUPAC name of ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane (CID 143997008) is ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane.
What is the SMILES notation for ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane?
The canonical SMILES for ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane is CC.Cc1sc2c(c1P)CCCC2.
What is the InChIKey of ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane?
The InChIKey is QJWCTHOBZHBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13PS.C2H6/c1-6-9(10)7-4-2-3-5-8(7)11-6;1-2/h2-5,10H2,1H3;1-2H3.
What are the key properties of ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane?
ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane has a molecular weight of 214.31 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane is sourced from PubChem (CID 143997008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).