dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane

C7H12S3 — CID 91344391

IUPACdimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane
SMILESCc1ccc(S(C)(C)S)s1
InChIInChI=1S/C7H12S3/c1-6-4-5-7(9-6)10(2,3)8/h4-5,8H,1-3H3
InChIKeyOMCRCBUKZNCRDG-UHFFFAOYSA-N
MW192.37 g/mol
LogP3.32
Rot. Bonds1

About dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane

dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane (PubChem CID 91344391) has the molecular formula C7H12S3 and a molecular weight of 192.37 g/mol. Its IUPAC name is dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane
PubChem CID91344391
Molecular FormulaC7H12S3
Molecular Weight192.37 g/mol
Exact Mass192.01
IUPAC Namedimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane
SMILESCc1ccc(S(C)(C)S)s1
InChIInChI=1S/C7H12S3/c1-6-4-5-7(9-6)10(2,3)8/h4-5,8H,1-3H3
InChIKeyOMCRCBUKZNCRDG-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylsulfonyl-5-methylthiophene
CID 778806
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine
CID 167944484
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
2-methyl-5-nitrosothiophene
CID 89250838
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
CID 174366783
CID 174366783

Frequently Asked Questions

What is the IUPAC name of dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane?
The IUPAC name of dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane (CID 91344391) is dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane.
What is the SMILES notation for dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane?
The canonical SMILES for dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane is Cc1ccc(S(C)(C)S)s1.
What is the InChIKey of dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane?
The InChIKey is OMCRCBUKZNCRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S3/c1-6-4-5-7(9-6)10(2,3)8/h4-5,8H,1-3H3.
What are the key properties of dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane?
dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane has a molecular weight of 192.37 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane is sourced from PubChem (CID 91344391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).