methylamino-(4-propan-2-ylphenyl)methanethiol

C11H17NS — CID 116954450

IUPACmethylamino-(4-propan-2-ylphenyl)methanethiol
SMILESCNC(S)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17NS/c1-8(2)9-4-6-10(7-5-9)11(13)12-3/h4-8,11-13H,1-3H3
InChIKeyCRANCKMWWLNJEI-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.96
Rot. Bonds3

About methylamino-(4-propan-2-ylphenyl)methanethiol

methylamino-(4-propan-2-ylphenyl)methanethiol (PubChem CID 116954450) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is methylamino-(4-propan-2-ylphenyl)methanethiol.

Molecular Properties

Compound Namemethylamino-(4-propan-2-ylphenyl)methanethiol
PubChem CID116954450
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Namemethylamino-(4-propan-2-ylphenyl)methanethiol
SMILESCNC(S)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17NS/c1-8(2)9-4-6-10(7-5-9)11(13)12-3/h4-8,11-13H,1-3H3
InChIKeyCRANCKMWWLNJEI-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
methylamino-(4-propan-2-ylphenyl)methanol
CID 116954610
(3,4-dichlorophenyl)-(methylamino)methanethiol
CID 116954570
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517
N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116948977
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
CID 93280068
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608

Frequently Asked Questions

What is the IUPAC name of methylamino-(4-propan-2-ylphenyl)methanethiol?
The IUPAC name of methylamino-(4-propan-2-ylphenyl)methanethiol (CID 116954450) is methylamino-(4-propan-2-ylphenyl)methanethiol.
What is the SMILES notation for methylamino-(4-propan-2-ylphenyl)methanethiol?
The canonical SMILES for methylamino-(4-propan-2-ylphenyl)methanethiol is CNC(S)c1ccc(C(C)C)cc1.
What is the InChIKey of methylamino-(4-propan-2-ylphenyl)methanethiol?
The InChIKey is CRANCKMWWLNJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8(2)9-4-6-10(7-5-9)11(13)12-3/h4-8,11-13H,1-3H3.
What are the key properties of methylamino-(4-propan-2-ylphenyl)methanethiol?
methylamino-(4-propan-2-ylphenyl)methanethiol has a molecular weight of 195.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-(4-propan-2-ylphenyl)methanethiol is sourced from PubChem (CID 116954450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).