3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene

C12H14Br2S6 — CID 160919559

IUPAC3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene
SMILESCSc1c(Br)sc(Br)c1SC.CSc1cscc1SC
InChIInChI=1S/C6H6Br2S3.C6H8S3/c1-9-3-4(10-2)6(8)11-5(3)7;1-7-5-3-9-4-6(5)8-2/h1-2H3;3-4H,1-2H3
InChIKeySRVRXZHIEDBZAA-UHFFFAOYSA-N
MW510.45 g/mol
LogP7.91
Rot. Bonds4

About 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene

3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene (PubChem CID 160919559) has the molecular formula C12H14Br2S6 and a molecular weight of 510.45 g/mol. Its IUPAC name is 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene.

Molecular Properties

Compound Name3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene
PubChem CID160919559
Molecular FormulaC12H14Br2S6
Molecular Weight510.45 g/mol
Exact Mass507.78
IUPAC Name3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene
SMILESCSc1c(Br)sc(Br)c1SC.CSc1cscc1SC
InChIInChI=1S/C6H6Br2S3.C6H8S3/c1-9-3-4(10-2)6(8)11-5(3)7;1-7-5-3-9-4-6(5)8-2/h1-2H3;3-4H,1-2H3
InChIKeySRVRXZHIEDBZAA-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.45
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene?
The IUPAC name of 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene (CID 160919559) is 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene.
What is the SMILES notation for 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene?
The canonical SMILES for 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene is CSc1c(Br)sc(Br)c1SC.CSc1cscc1SC.
What is the InChIKey of 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene?
The InChIKey is SRVRXZHIEDBZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2S3.C6H8S3/c1-9-3-4(10-2)6(8)11-5(3)7;1-7-5-3-9-4-6(5)8-2/h1-2H3;3-4H,1-2H3.
What are the key properties of 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene?
3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene has a molecular weight of 510.45 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(methylsulfanyl)thiophene;2,5-dibromo-3,4-bis(methylsulfanyl)thiophene is sourced from PubChem (CID 160919559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).