azane;2-methyl-1,3-bis(methylsulfanyl)benzene

C9H18N2S2 — CID 18755719

IUPACazane;2-methyl-1,3-bis(methylsulfanyl)benzene
SMILESCSc1cccc(SC)c1C.N.N
InChIInChI=1S/C9H12S2.2H3N/c1-7-8(10-2)5-4-6-9(7)11-3;;/h4-6H,1-3H3;2*1H3
InChIKeyVLKQQDBZBCNXNU-UHFFFAOYSA-N
MW218.39 g/mol
LogP3.76
Rot. Bonds2

About azane;2-methyl-1,3-bis(methylsulfanyl)benzene

azane;2-methyl-1,3-bis(methylsulfanyl)benzene (PubChem CID 18755719) has the molecular formula C9H18N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is azane;2-methyl-1,3-bis(methylsulfanyl)benzene.

Molecular Properties

Compound Nameazane;2-methyl-1,3-bis(methylsulfanyl)benzene
PubChem CID18755719
Molecular FormulaC9H18N2S2
Molecular Weight218.39 g/mol
Exact Mass218.09
IUPAC Nameazane;2-methyl-1,3-bis(methylsulfanyl)benzene
SMILESCSc1cccc(SC)c1C.N.N
InChIInChI=1S/C9H12S2.2H3N/c1-7-8(10-2)5-4-6-9(7)11-3;;/h4-6H,1-3H3;2*1H3
InChIKeyVLKQQDBZBCNXNU-UHFFFAOYSA-N
XLogP3.76
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-methylsulfanylaniline
CID 18408360
2-iodo-1-methyl-3-methylsulfanylbenzene
CID 91881115
2-ethenyl-1,3-bis(methylsulfanyl)benzene
CID 54025667
2,3-dimethyl-7-methylsulfanyl-1-benzothiophene
CID 131075805
N-cyclobutyl-2-methyl-3-methylsulfanylaniline
CID 131031476
1-methyl-2-methylsulfanyltriphenylene
CID 150944687
(2-methylsulfanylphenyl)oxidanium
CID 143399169
N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine
CID 134481194
N-[(E)-3-chloroprop-2-enyl]-2-methyl-3-methylsulfanylaniline
CID 131237399
1-fluoro-2-iodo-3-methylsulfanylbenzene
CID 91881041
5-methylsulfanylnaphthalen-1-ol
CID 130033866
CID 68562978
CID 68562978

Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-1,3-bis(methylsulfanyl)benzene?
The IUPAC name of azane;2-methyl-1,3-bis(methylsulfanyl)benzene (CID 18755719) is azane;2-methyl-1,3-bis(methylsulfanyl)benzene.
What is the SMILES notation for azane;2-methyl-1,3-bis(methylsulfanyl)benzene?
The canonical SMILES for azane;2-methyl-1,3-bis(methylsulfanyl)benzene is CSc1cccc(SC)c1C.N.N.
What is the InChIKey of azane;2-methyl-1,3-bis(methylsulfanyl)benzene?
The InChIKey is VLKQQDBZBCNXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S2.2H3N/c1-7-8(10-2)5-4-6-9(7)11-3;;/h4-6H,1-3H3;2*1H3.
What are the key properties of azane;2-methyl-1,3-bis(methylsulfanyl)benzene?
azane;2-methyl-1,3-bis(methylsulfanyl)benzene has a molecular weight of 218.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-1,3-bis(methylsulfanyl)benzene is sourced from PubChem (CID 18755719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).