(2-methylthiophen-3-yl) carbamate

C6H7NO2S — CID 175339056

IUPAC(2-methylthiophen-3-yl) carbamate
SMILESCc1sccc1OC(N)=O
InChIInChI=1S/C6H7NO2S/c1-4-5(2-3-10-4)9-6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeySYUPPAGBYDFEBS-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.51
Rot. Bonds1

About (2-methylthiophen-3-yl) carbamate

(2-methylthiophen-3-yl) carbamate (PubChem CID 175339056) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is (2-methylthiophen-3-yl) carbamate.

Molecular Properties

Compound Name(2-methylthiophen-3-yl) carbamate
PubChem CID175339056
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name(2-methylthiophen-3-yl) carbamate
SMILESCc1sccc1OC(N)=O
InChIInChI=1S/C6H7NO2S/c1-4-5(2-3-10-4)9-6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeySYUPPAGBYDFEBS-UHFFFAOYSA-N
XLogP1.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylthiophen-3-yl) methylsulfanylformate
CID 59552954
(2-methylthiophen-3-yl) carbamate;2-methyl-5-(trifluoromethyl)benzoic acid
CID 175788644
bis(2-methylthiophen-3-yl)methanone
CID 101441488
(2-carboxyoxythiophen-3-yl) hydrogen carbonate
CID 70397809
2-methyl-3-prop-2-enoxythiophene
CID 14964444
2-(2-methylthiophen-3-yl)acetic acid
CID 768693
[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
CID 174464729
(3-phenyl-2-thiophen-2-ylphenyl) carbamate
CID 154235566
(2,5-dichloro-4-methylphenyl) carbamate
CID 175535955
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate
CID 175859022
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl) carbamate?
The IUPAC name of (2-methylthiophen-3-yl) carbamate (CID 175339056) is (2-methylthiophen-3-yl) carbamate.
What is the SMILES notation for (2-methylthiophen-3-yl) carbamate?
The canonical SMILES for (2-methylthiophen-3-yl) carbamate is Cc1sccc1OC(N)=O.
What is the InChIKey of (2-methylthiophen-3-yl) carbamate?
The InChIKey is SYUPPAGBYDFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-5(2-3-10-4)9-6(7)8/h2-3H,1H3,(H2,7,8).
What are the key properties of (2-methylthiophen-3-yl) carbamate?
(2-methylthiophen-3-yl) carbamate has a molecular weight of 157.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl) carbamate is sourced from PubChem (CID 175339056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).