(4-fluoro-2-methylphenyl)sulfanylmethanamine

C8H10FNS — CID 117032403

IUPAC(4-fluoro-2-methylphenyl)sulfanylmethanamine
SMILESCc1cc(F)ccc1SCN
InChIInChI=1S/C8H10FNS/c1-6-4-7(9)2-3-8(6)11-5-10/h2-4H,5,10H2,1H3
InChIKeyBMCFFMMAURQTAP-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.14
Rot. Bonds2

About (4-fluoro-2-methylphenyl)sulfanylmethanamine

(4-fluoro-2-methylphenyl)sulfanylmethanamine (PubChem CID 117032403) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)sulfanylmethanamine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)sulfanylmethanamine
PubChem CID117032403
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name(4-fluoro-2-methylphenyl)sulfanylmethanamine
SMILESCc1cc(F)ccc1SCN
InChIInChI=1S/C8H10FNS/c1-6-4-7(9)2-3-8(6)11-5-10/h2-4H,5,10H2,1H3
InChIKeyBMCFFMMAURQTAP-UHFFFAOYSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601
acetylene;(2,4-dimethylphenyl)sulfanylmethanamine
CID 142030262
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
CID 82505973
2-(4-fluoro-2-methylphenyl)sulfanylacetonitrile
CID 117033959
2-(4-fluoro-2-methylphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035470
3-(4-fluoro-2-methylphenyl)sulfanylbutan-1-amine
CID 117032656
1-[(4-fluoro-2-methylphenyl)sulfanylmethyl]piperazine
CID 117033907
5-fluoro-2-[(4-fluoro-2-methylphenyl)methylsulfanyl]aniline
CID 114346132
4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene
CID 175022651
(4-fluoro-2-methylphenyl) propanedithioate
CID 129075399
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene
CID 146649535

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)sulfanylmethanamine?
The IUPAC name of (4-fluoro-2-methylphenyl)sulfanylmethanamine (CID 117032403) is (4-fluoro-2-methylphenyl)sulfanylmethanamine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)sulfanylmethanamine?
The canonical SMILES for (4-fluoro-2-methylphenyl)sulfanylmethanamine is Cc1cc(F)ccc1SCN.
What is the InChIKey of (4-fluoro-2-methylphenyl)sulfanylmethanamine?
The InChIKey is BMCFFMMAURQTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-6-4-7(9)2-3-8(6)11-5-10/h2-4H,5,10H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)sulfanylmethanamine?
(4-fluoro-2-methylphenyl)sulfanylmethanamine has a molecular weight of 171.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)sulfanylmethanamine is sourced from PubChem (CID 117032403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).