(Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine

C4H8N2O2S — CID 142650598

IUPAC(Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine
SMILESCS/C(C)=C(/N)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O2S/c1-3(9-2)4(5)6(7)8/h5H2,1-2H3/b4-3-
InChIKeyQEAJENGHAKCDBZ-ARJAWSKDSA-N
MW148.19 g/mol
LogP0.77
Rot. Bonds2

About (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine

(Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine (PubChem CID 142650598) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine
PubChem CID142650598
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name(Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine
SMILESCS/C(C)=C(/N)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O2S/c1-3(9-2)4(5)6(7)8/h5H2,1-2H3/b4-3-
InChIKeyQEAJENGHAKCDBZ-ARJAWSKDSA-N
XLogP0.77
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-nitrobut-2-en-2-amine
CID 15369481
silver;acetamide;nitrate;hydrobromide
CID 174892203
5-methylsulfanyl-2-nitrobenzamide
CID 43091237
methyl (1E)-N-amino-2-nitroethanimidothioate
CID 134868839
N'-nitroethanimidamide
CID 90887679
acetamide;guanidine;nitric acid
CID 173438373
1-methylsulfanyl-2-nitro-N'-prop-2-ynylethene-1,2-diamine
CID 173408988
3-chloro-2-methyl-6-nitrobenzamide
CID 131072971
methyl nitrate
CID 11724
[(2R)-1-amino-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate
CID 7678346
2-hydroxy-2-methoxy-2-nitroacetamide
CID 151686518
3-imino-1-nitroprop-1-ene-1,2-diamine
CID 173484324

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine?
The IUPAC name of (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine (CID 142650598) is (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine?
The canonical SMILES for (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine is CS/C(C)=C(/N)[N+](=O)[O-].
What is the InChIKey of (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine?
The InChIKey is QEAJENGHAKCDBZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-3(9-2)4(5)6(7)8/h5H2,1-2H3/b4-3-.
What are the key properties of (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine?
(Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine has a molecular weight of 148.19 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylsulfanyl-1-nitroprop-1-en-1-amine is sourced from PubChem (CID 142650598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).