1-(2-methylphenyl)sulfanylethyl carbamate

C10H13NO2S — CID 70554819

IUPAC1-(2-methylphenyl)sulfanylethyl carbamate
SMILESCc1ccccc1SC(C)OC(N)=O
InChIInChI=1S/C10H13NO2S/c1-7-5-3-4-6-9(7)14-8(2)13-10(11)12/h3-6,8H,1-2H3,(H2,11,12)
InChIKeyIDROATJWSVOHLS-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-methylphenyl)sulfanylethyl carbamate

1-(2-methylphenyl)sulfanylethyl carbamate (PubChem CID 70554819) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfanylethyl carbamate.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfanylethyl carbamate
PubChem CID70554819
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(2-methylphenyl)sulfanylethyl carbamate
SMILESCc1ccccc1SC(C)OC(N)=O
InChIInChI=1S/C10H13NO2S/c1-7-5-3-4-6-9(7)14-8(2)13-10(11)12/h3-6,8H,1-2H3,(H2,11,12)
InChIKeyIDROATJWSVOHLS-UHFFFAOYSA-N
XLogP2.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)sulfanylpropanoic acid
CID 20985535
2-(2-methylphenyl)sulfanylpropanehydrazide
CID 63582156
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 2571153
ethyl 2-(2-methylphenyl)sulfanylpentanoate
CID 79004796
1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate
CID 70121991
[2-methoxy-1-(2-methylphenyl)propyl] carbamate
CID 123675693
3-(2-methylphenyl)sulfanylpentan-2-one
CID 165440104
N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60892180
[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate
CID 123953275
2-(2-amino-3-methylphenyl)sulfanylpropanamide
CID 79147499
3-phenylpentan-2-yl carbamate
CID 70616482
ethyl 2-(ethylamino)-2-methyl-4-(2-methylphenyl)sulfanylpentanoate
CID 64709365

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfanylethyl carbamate?
The IUPAC name of 1-(2-methylphenyl)sulfanylethyl carbamate (CID 70554819) is 1-(2-methylphenyl)sulfanylethyl carbamate.
What is the SMILES notation for 1-(2-methylphenyl)sulfanylethyl carbamate?
The canonical SMILES for 1-(2-methylphenyl)sulfanylethyl carbamate is Cc1ccccc1SC(C)OC(N)=O.
What is the InChIKey of 1-(2-methylphenyl)sulfanylethyl carbamate?
The InChIKey is IDROATJWSVOHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-5-3-4-6-9(7)14-8(2)13-10(11)12/h3-6,8H,1-2H3,(H2,11,12).
What are the key properties of 1-(2-methylphenyl)sulfanylethyl carbamate?
1-(2-methylphenyl)sulfanylethyl carbamate has a molecular weight of 211.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfanylethyl carbamate is sourced from PubChem (CID 70554819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).