(4-methylphenyl)-naphthalen-1-ylmethanethiol

C18H16S — CID 175430187

IUPAC(4-methylphenyl)-naphthalen-1-ylmethanethiol
SMILESCc1ccc(C(S)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H16S/c1-13-9-11-15(12-10-13)18(19)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18-19H,1H3
InChIKeyVJALTNSZTUSOMX-UHFFFAOYSA-N
MW264.39 g/mol
LogP5.17
Rot. Bonds2

About (4-methylphenyl)-naphthalen-1-ylmethanethiol

(4-methylphenyl)-naphthalen-1-ylmethanethiol (PubChem CID 175430187) has the molecular formula C18H16S and a molecular weight of 264.39 g/mol. Its IUPAC name is (4-methylphenyl)-naphthalen-1-ylmethanethiol.

Molecular Properties

Compound Name(4-methylphenyl)-naphthalen-1-ylmethanethiol
PubChem CID175430187
Molecular FormulaC18H16S
Molecular Weight264.39 g/mol
Exact Mass264.10
IUPAC Name(4-methylphenyl)-naphthalen-1-ylmethanethiol
SMILESCc1ccc(C(S)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H16S/c1-13-9-11-15(12-10-13)18(19)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18-19H,1H3
InChIKeyVJALTNSZTUSOMX-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.39
LogP ≤ 55.17
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

2-(4-methylphenyl)-4,4-dinaphthalen-1-ylbutanoic acid
CID 77183065
1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
CID 142867953
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442
1-methyl-4-propan-2-ylbenzene;picene
CID 173420307
N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline
CID 70678197
(1R)-1-(6-methylnaphthalen-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54273414
1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
CID 63435816
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-naphthalen-1-ylmethanethiol?
The IUPAC name of (4-methylphenyl)-naphthalen-1-ylmethanethiol (CID 175430187) is (4-methylphenyl)-naphthalen-1-ylmethanethiol.
What is the SMILES notation for (4-methylphenyl)-naphthalen-1-ylmethanethiol?
The canonical SMILES for (4-methylphenyl)-naphthalen-1-ylmethanethiol is Cc1ccc(C(S)c2cccc3ccccc23)cc1.
What is the InChIKey of (4-methylphenyl)-naphthalen-1-ylmethanethiol?
The InChIKey is VJALTNSZTUSOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16S/c1-13-9-11-15(12-10-13)18(19)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18-19H,1H3.
What are the key properties of (4-methylphenyl)-naphthalen-1-ylmethanethiol?
(4-methylphenyl)-naphthalen-1-ylmethanethiol has a molecular weight of 264.39 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-naphthalen-1-ylmethanethiol is sourced from PubChem (CID 175430187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).