(6-methoxynaphthalen-2-yl)methanethiol

C12H12OS — CID 79884829

IUPAC(6-methoxynaphthalen-2-yl)methanethiol
SMILESCOc1ccc2cc(CS)ccc2c1
InChIInChI=1S/C12H12OS/c1-13-12-5-4-10-6-9(8-14)2-3-11(10)7-12/h2-7,14H,8H2,1H3
InChIKeyDSMFQIZJMBKSHB-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.28
Rot. Bonds2

About (6-methoxynaphthalen-2-yl)methanethiol

(6-methoxynaphthalen-2-yl)methanethiol (PubChem CID 79884829) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methanethiol.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methanethiol
PubChem CID79884829
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name(6-methoxynaphthalen-2-yl)methanethiol
SMILESCOc1ccc2cc(CS)ccc2c1
InChIInChI=1S/C12H12OS/c1-13-12-5-4-10-6-9(8-14)2-3-11(10)7-12/h2-7,14H,8H2,1H3
InChIKeyDSMFQIZJMBKSHB-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4-methoxyphenyl)methanethiol
CID 143963839
(3-methoxyphenyl)methanethiol
CID 10749403
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735
4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
CID 116924817
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 110884528
[(6-methoxynaphthalen-2-yl)-methylamino]methanethiol
CID 115227861

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methanethiol?
The IUPAC name of (6-methoxynaphthalen-2-yl)methanethiol (CID 79884829) is (6-methoxynaphthalen-2-yl)methanethiol.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methanethiol?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methanethiol is COc1ccc2cc(CS)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methanethiol?
The InChIKey is DSMFQIZJMBKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-13-12-5-4-10-6-9(8-14)2-3-11(10)7-12/h2-7,14H,8H2,1H3.
What are the key properties of (6-methoxynaphthalen-2-yl)methanethiol?
(6-methoxynaphthalen-2-yl)methanethiol has a molecular weight of 204.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methanethiol is sourced from PubChem (CID 79884829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).