ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole

C13H19NS — CID 144858748

IUPACethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole
SMILESCC.[H][H].c1ccc2c3c([nH]c2c1)CCCS3
InChIInChI=1S/C11H11NS.C2H6.H2/c1-2-5-9-8(4-1)11-10(12-9)6-3-7-13-11;1-2;/h1-2,4-5,12H,3,6-7H2;1-2H3;1H
InChIKeyKWMYFYRPCXVONK-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.48
Rot. Bonds

About ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole

ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole (PubChem CID 144858748) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole.

Molecular Properties

Compound Nameethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole
PubChem CID144858748
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Nameethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole
SMILESCC.[H][H].c1ccc2c3c([nH]c2c1)CCCS3
InChIInChI=1S/C11H11NS.C2H6.H2/c1-2-5-9-8(4-1)11-10(12-9)6-3-7-13-11;1-2;/h1-2,4-5,12H,3,6-7H2;1-2H3;1H
InChIKeyKWMYFYRPCXVONK-UHFFFAOYSA-N
XLogP4.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one
CID 170057452
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 9350450
2-methyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole;molecular hydrogen
CID 143420706
3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
CID 57191889
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
(2S)-2-methyl-9-thia-17-aza-6-azoniatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),11,13,15-tetraene
CID 1403588
1H-indole;2,3,4,9-tetrahydro-1H-carbazole
CID 161045949
(2E,3Z)-2,3-di(ethylidene)-1H-indole;ethane;molecular hydrogen;propane
CID 145376843
N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333308

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole?
The IUPAC name of ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole (CID 144858748) is ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole.
What is the SMILES notation for ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole?
The canonical SMILES for ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole is CC.[H][H].c1ccc2c3c([nH]c2c1)CCCS3.
What is the InChIKey of ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole?
The InChIKey is KWMYFYRPCXVONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C2H6.H2/c1-2-5-9-8(4-1)11-10(12-9)6-3-7-13-11;1-2;/h1-2,4-5,12H,3,6-7H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole?
ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole has a molecular weight of 221.37 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;2,3,4,5-tetrahydrothiopyrano[3,2-b]indole is sourced from PubChem (CID 144858748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).