methanethiol;1-methyl-2,3-dihydronaphthalene

C12H16S — CID 143782367

IUPACmethanethiol;1-methyl-2,3-dihydronaphthalene
SMILESCC1=c2ccccc2=CCC1.CS
InChIInChI=1S/C11H12.CH4S/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h2-3,6-8H,4-5H2,1H3;2H,1H3
InChIKeyPXQUXUONTXAFMV-UHFFFAOYSA-N
MW192.33 g/mol
LogP1.98
Rot. Bonds

About methanethiol;1-methyl-2,3-dihydronaphthalene

methanethiol;1-methyl-2,3-dihydronaphthalene (PubChem CID 143782367) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is methanethiol;1-methyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Namemethanethiol;1-methyl-2,3-dihydronaphthalene
PubChem CID143782367
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Namemethanethiol;1-methyl-2,3-dihydronaphthalene
SMILESCC1=c2ccccc2=CCC1.CS
InChIInChI=1S/C11H12.CH4S/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h2-3,6-8H,4-5H2,1H3;2H,1H3
InChIKeyPXQUXUONTXAFMV-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-7,8-dihydro-6H-benzo[7]annulene
CID 143041691
1-methyl-2H-indene
CID 59944755
2,3-dihydronaphthalen-1-ol;methane
CID 145444445
2,3-dihydronaphthalene-1-carboxylic acid
CID 87593840
5-bromo-1-methyl-2,3-dihydronaphthalene
CID 143041674
2,3-dihydronaphthalene;methane
CID 142417654
5-methyl-8H-benzo[7]annulene
CID 142246381
1-fluoro-4-methyl-2,3-dihydronaphthalene
CID 143753613
1-methyl-3,5-dihydro-2H-chrysen-6-one
CID 174436210
ethane;9-[(E)-2-phenylethenyl]anthracene;1-[(E)-2-phenylethenyl]-2,3-dihydronaphthalene
CID 161115342
ethyl 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 139251099
1-(4-cyclopropyl-3-phenylphenyl)-2,3-dihydronaphthalene
CID 141019438

Frequently Asked Questions

What is the IUPAC name of methanethiol;1-methyl-2,3-dihydronaphthalene?
The IUPAC name of methanethiol;1-methyl-2,3-dihydronaphthalene (CID 143782367) is methanethiol;1-methyl-2,3-dihydronaphthalene.
What is the SMILES notation for methanethiol;1-methyl-2,3-dihydronaphthalene?
The canonical SMILES for methanethiol;1-methyl-2,3-dihydronaphthalene is CC1=c2ccccc2=CCC1.CS.
What is the InChIKey of methanethiol;1-methyl-2,3-dihydronaphthalene?
The InChIKey is PXQUXUONTXAFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.CH4S/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h2-3,6-8H,4-5H2,1H3;2H,1H3.
What are the key properties of methanethiol;1-methyl-2,3-dihydronaphthalene?
methanethiol;1-methyl-2,3-dihydronaphthalene has a molecular weight of 192.33 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;1-methyl-2,3-dihydronaphthalene is sourced from PubChem (CID 143782367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).