ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen

C23H35NS — CID 142259114

IUPACethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen
SMILESC/C=C(/S)c1ccccc1C.CC.CC.Cc1cc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C10H12S.C9H9N.2C2H6.H2/c1-3-10(11)9-7-5-4-6-8(9)2;1-7-6-8-4-2-3-5-9(8)10-7;2*1-2;/h3-7,11H,1-2H3;2-6,10H,1H3;2*1-2H3;1H/b10-3+;;;;
InChIKeyWDTQUHNKFUKUSL-GPGUFOAGSA-N
MW357.61 g/mol
LogP8.06
Rot. Bonds1

About ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen

ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen (PubChem CID 142259114) has the molecular formula C23H35NS and a molecular weight of 357.61 g/mol. Its IUPAC name is ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen
PubChem CID142259114
Molecular FormulaC23H35NS
Molecular Weight357.61 g/mol
Exact Mass357.25
IUPAC Nameethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen
SMILESC/C=C(/S)c1ccccc1C.CC.CC.Cc1cc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C10H12S.C9H9N.2C2H6.H2/c1-3-10(11)9-7-5-4-6-8(9)2;1-7-6-8-4-2-3-5-9(8)10-7;2*1-2;/h3-7,11H,1-2H3;2-6,10H,1H3;2*1-2H3;1H/b10-3+;;;;
InChIKeyWDTQUHNKFUKUSL-GPGUFOAGSA-N
XLogP8.06
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-methylphenyl)prop-1-ene-1-thiol
CID 142259115
2-methyl-1H-indole;hydrofluoride
CID 163912177
benzene;2-methyl-1H-indole
CID 158804583
2-methyl-1H-indole;oxalic acid
CID 161360574
acetylene;(E)-2-ethoxybut-2-ene;2-methyl-1H-indole
CID 143057697
methane;2-methyl-1H-indole;1,2,3,5-tetramethylbenzene
CID 159710668
2,4-dimethyl-1H-indole;ethane
CID 91303970
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
CID 159600634
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
CID 155367147
1H-indole-2-carbothioic S-acid
CID 4713092
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen?
The IUPAC name of ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen (CID 142259114) is ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen is C/C=C(/S)c1ccccc1C.CC.CC.Cc1cc2ccccc2[nH]1.[H][H].
What is the InChIKey of ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen?
The InChIKey is WDTQUHNKFUKUSL-GPGUFOAGSA-N. The full InChI is InChI=1S/C10H12S.C9H9N.2C2H6.H2/c1-3-10(11)9-7-5-4-6-8(9)2;1-7-6-8-4-2-3-5-9(8)10-7;2*1-2;/h3-7,11H,1-2H3;2-6,10H,1H3;2*1-2H3;1H/b10-3+;;;;.
What are the key properties of ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen?
ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen has a molecular weight of 357.61 g/mol, XLogP of 8.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen is sourced from PubChem (CID 142259114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).