trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane

C27H46S3Sn — CID 158336022

IUPACtrimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane
SMILESCCCCCCCCCCCCCCSc1cc(C)sc1-c1sc([Sn](C)(C)C)cc1C
InChIInChI=1S/C24H37S3.3CH3.Sn/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-25-22-19-21(3)27-24(22)23-20(2)16-18-26-23;;;;/h16,19H,4-15,17H2,1-3H3;3*1H3;
InChIKeyAXPBBQVITCKSCL-UHFFFAOYSA-N
MW585.58 g/mol
LogP10.43
Rot. Bonds16

About trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane

trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane (PubChem CID 158336022) has the molecular formula C27H46S3Sn and a molecular weight of 585.58 g/mol. Its IUPAC name is trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane.

Molecular Properties

Compound Nametrimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane
PubChem CID158336022
Molecular FormulaC27H46S3Sn
Molecular Weight585.58 g/mol
Exact Mass586.18
IUPAC Nametrimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane
SMILESCCCCCCCCCCCCCCSc1cc(C)sc1-c1sc([Sn](C)(C)C)cc1C
InChIInChI=1S/C24H37S3.3CH3.Sn/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-25-22-19-21(3)27-24(22)23-20(2)16-18-26-23;;;;/h16,19H,4-15,17H2,1-3H3;3*1H3;
InChIKeyAXPBBQVITCKSCL-UHFFFAOYSA-N
XLogP10.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.58
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 157280840
tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane
CID 158274885
5-methyl-1,2,3-tris(tetradecylsulfanyl)benzene
CID 91804113
1-methyl-2-undecylsulfanylbenzene
CID 173415196
[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
1,4-dichloro-2,5-bis(heptylsulfanyl)benzene
CID 71322457
1,2-bis(tricosylsulfanyl)benzene
CID 91011021
3-hexylsulfanyl-1,2,4,5-tetramethylbenzene
CID 10777103
(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane
CID 66653400
trimethyl-[6-methyl-4,8-bis(3-pentylundecyl)thieno[2,3-f][1]benzothiol-2-yl]stannane
CID 158936698
1,2,3-tris(octylsulfanyl)-5-propylbenzene
CID 90985157
trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane
CID 154725648

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane?
The IUPAC name of trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane (CID 158336022) is trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane.
What is the SMILES notation for trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane?
The canonical SMILES for trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane is CCCCCCCCCCCCCCSc1cc(C)sc1-c1sc([Sn](C)(C)C)cc1C.
What is the InChIKey of trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane?
The InChIKey is AXPBBQVITCKSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37S3.3CH3.Sn/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-25-22-19-21(3)27-24(22)23-20(2)16-18-26-23;;;;/h16,19H,4-15,17H2,1-3H3;3*1H3;.
What are the key properties of trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane?
trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane has a molecular weight of 585.58 g/mol, XLogP of 10.43, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane is sourced from PubChem (CID 158336022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).