1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene

C12H10Cl2S2 — CID 155647803

IUPAC1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene
SMILESCSc1c(SC)c(Cl)c2ccccc2c1Cl
InChIInChI=1S/C12H10Cl2S2/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2/h3-6H,1-2H3
InChIKeyAFZFDCQSEKALHY-UHFFFAOYSA-N
MW289.25 g/mol
LogP5.59
Rot. Bonds2

About 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene

1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene (PubChem CID 155647803) has the molecular formula C12H10Cl2S2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene.

Molecular Properties

Compound Name1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene
PubChem CID155647803
Molecular FormulaC12H10Cl2S2
Molecular Weight289.25 g/mol
Exact Mass287.96
IUPAC Name1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene
SMILESCSc1c(SC)c(Cl)c2ccccc2c1Cl
InChIInChI=1S/C12H10Cl2S2/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2/h3-6H,1-2H3
InChIKeyAFZFDCQSEKALHY-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.25
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-methylsulfanylnaphthalene-1,4-diol
CID 163407165
2-chloro-1,4-difluoro-3-methylsulfanylbenzene
CID 119011938
1-chloro-2-methylsulfanylnaphthalene
CID 15311205
1,4-dichloro-2,3-bis(methylsulfanyl)benzene
CID 129229080
(4-chloro-1-methylsulfanylnaphthalen-2-yl)boronic acid
CID 162734823
9,10-dichloro-1,2,3,4-tetramethylanthracene
CID 139963495
4-methylsulfanyl-3-[(4-methylsulfanylquinolin-3-yl)disulfanyl]quinoline
CID 101180966
9-chloro-10-ethylanthracene
CID 23018360
1,3,5-trichloro-2-methylsulfanylbenzene
CID 86135617
2,3-bis(methylsulfanyl)-1-benzothiophene
CID 11009677
2,21-bis(methylsulfanyl)nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecaene
CID 88935173
1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
CID 160826513

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene?
The IUPAC name of 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene (CID 155647803) is 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene.
What is the SMILES notation for 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene?
The canonical SMILES for 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene is CSc1c(SC)c(Cl)c2ccccc2c1Cl.
What is the InChIKey of 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene?
The InChIKey is AFZFDCQSEKALHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2S2/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2/h3-6H,1-2H3.
What are the key properties of 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene?
1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene has a molecular weight of 289.25 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2,3-bis(methylsulfanyl)naphthalene is sourced from PubChem (CID 155647803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).