carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)

C49H69NO3S5Th — CID 158308021

IUPACcarbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)
SMILESCCCCCCCCCCOc1c(C)sc(C)c1C.CNc1cc[c-]cc1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)s1.Cc1sc(C)c2c1OCCO2.[CH3-].[Th+2]
InChIInChI=1S/C17H30OS.C10H10S2.C8H10O2S.C7H8N.C6H8S.CH3.Th/c1-5-6-7-8-9-10-11-12-13-18-17-14(2)15(3)19-16(17)4;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-5-7-8(6(2)11-5)10-4-3-9-7;1-8-7-5-3-2-4-6-7;1-5-3-4-6(2)7-5;;/h5-13H2,1-4H3;3-6H,1-2H3;3-4H2,1-2H3;3-6,8H,1H3;3-4H,1-2H3;1H3;/q;;;-1;;-1;+2
InChIKeyWSDQAILVLGFEDF-UHFFFAOYSA-N
MW1112.47 g/mol
LogP16.77
Rot. Bonds12

About carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)

carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+) (PubChem CID 158308021) has the molecular formula C49H69NO3S5Th and a molecular weight of 1112.47 g/mol. Its IUPAC name is carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+).

Molecular Properties

Compound Namecarbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)
PubChem CID158308021
Molecular FormulaC49H69NO3S5Th
Molecular Weight1112.47 g/mol
Exact Mass1111.43
IUPAC Namecarbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)
SMILESCCCCCCCCCCOc1c(C)sc(C)c1C.CNc1cc[c-]cc1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)s1.Cc1sc(C)c2c1OCCO2.[CH3-].[Th+2]
InChIInChI=1S/C17H30OS.C10H10S2.C8H10O2S.C7H8N.C6H8S.CH3.Th/c1-5-6-7-8-9-10-11-12-13-18-17-14(2)15(3)19-16(17)4;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-5-7-8(6(2)11-5)10-4-3-9-7;1-8-7-5-3-2-4-6-7;1-5-3-4-6(2)7-5;;/h5-13H2,1-4H3;3-6H,1-2H3;3-4H2,1-2H3;3-6,8H,1H3;3-4H,1-2H3;1H3;/q;;;-1;;-1;+2
InChIKeyWSDQAILVLGFEDF-UHFFFAOYSA-N
XLogP16.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001112.47
LogP ≤ 516.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+) with MolForge

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Related Compounds

3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 54484872
2-(1,5-didecoxy-6-methylnaphthalen-2-yl)-5-(5-methylthiophen-2-yl)thiophene
CID 121308594
4-hexoxy-N-methylaniline
CID 54803445
5-hexyl-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 70808035
5-dodecoxy-4-[5-[4-[5-(6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-6-methyl-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 161266612
1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 159601609
2,3-dimethyl-1,4-di(nonoxy)naphthalene
CID 153323309
1,4-diheptoxy-2,3-dimethylnaphthalene
CID 153323338
4-[5-[4,8-di(icosoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5,6-difluoro-2-methyl-7-(5-methylthiophen-2-yl)benzotriazole
CID 90206815
3,7-dimethyl-4,6-dioctoxydibenzothiophene
CID 58849581
2,3-dimethyl-1,4,6,7,8,9-hexaoctoxydibenzothiophene
CID 58849567
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319

Frequently Asked Questions

What is the IUPAC name of carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)?
The IUPAC name of carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+) (CID 158308021) is carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+).
What is the SMILES notation for carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)?
The canonical SMILES for carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+) is CCCCCCCCCCOc1c(C)sc(C)c1C.CNc1cc[c-]cc1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)s1.Cc1sc(C)c2c1OCCO2.[CH3-].[Th+2].
What is the InChIKey of carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)?
The InChIKey is WSDQAILVLGFEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OS.C10H10S2.C8H10O2S.C7H8N.C6H8S.CH3.Th/c1-5-6-7-8-9-10-11-12-13-18-17-14(2)15(3)19-16(17)4;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-5-7-8(6(2)11-5)10-4-3-9-7;1-8-7-5-3-2-4-6-7;1-5-3-4-6(2)7-5;;/h5-13H2,1-4H3;3-6H,1-2H3;3-4H2,1-2H3;3-6,8H,1H3;3-4H,1-2H3;1H3;/q;;;-1;;-1;+2.
What are the key properties of carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)?
carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+) has a molecular weight of 1112.47 g/mol, XLogP of 16.77, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+) is sourced from PubChem (CID 158308021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).