methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane

C10H13NO2S — CID 148599913

IUPACmethyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane
SMILESC=S(C)Cc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13NO2S/c1-8-4-5-9(7-14(2)3)6-10(8)11(12)13/h4-6H,2,7H2,1,3H3
InChIKeyNCHORGRXEQGUMW-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.73
Rot. Bonds3

About methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane

methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane (PubChem CID 148599913) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane
PubChem CID148599913
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane
SMILESC=S(C)Cc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C10H13NO2S/c1-8-4-5-9(7-14(2)3)6-10(8)11(12)13/h4-6H,2,7H2,1,3H3
InChIKeyNCHORGRXEQGUMW-UHFFFAOYSA-N
XLogP2.73
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-nitro-4-(nitromethyl)benzene
CID 14871716
(4-methyl-3-nitrophenyl)methanamine
CID 18468134
N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine
CID 58723694
1,4-dimethyl-2-nitrobenzene
CID 20849377
2-methyl-N-[(4-methyl-3-nitrophenyl)methyl]prop-2-en-1-amine
CID 114615877
3,3,3-trifluoro-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 63226216
(4-methyl-3-nitrophenyl)methyl methanesulfonate
CID 20800288
1-[(4-methyl-3-nitrophenyl)methyl]pyrrole-2,5-dione
CID 102248981
1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069
N-[(4-methyl-3-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 43222729
2-[(4-methyl-3-nitrophenyl)methylamino]acetic acid
CID 43774185
4-(bromomethyl)-1-methyl-2-nitrobenzene;(4-methyl-3-nitrophenyl)methanol;tribromophosphane
CID 161039553

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane?
The IUPAC name of methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane (CID 148599913) is methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane?
The canonical SMILES for methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane is C=S(C)Cc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane?
The InChIKey is NCHORGRXEQGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8-4-5-9(7-14(2)3)6-10(8)11(12)13/h4-6H,2,7H2,1,3H3.
What are the key properties of methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane?
methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane has a molecular weight of 211.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane is sourced from PubChem (CID 148599913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).