(Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol

C4H10N2S — CID 89305261

IUPAC(Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol
SMILESCN/C(=C\S)CN
InChIInChI=1S/C4H10N2S/c1-6-4(2-5)3-7/h3,6-7H,2,5H2,1H3/b4-3-
InChIKeySTHHBOWSMOFBAW-ARJAWSKDSA-N
MW118.20 g/mol
LogP-0.06
Rot. Bonds2

About (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol

(Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol (PubChem CID 89305261) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol
PubChem CID89305261
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name(Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol
SMILESCN/C(=C\S)CN
InChIInChI=1S/C4H10N2S/c1-6-4(2-5)3-7/h3,6-7H,2,5H2,1H3/b4-3-
InChIKeySTHHBOWSMOFBAW-ARJAWSKDSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine
CID 67152941
(Z)-2-(methylamino)prop-1-ene-1-thiol
CID 87767509
2-Amino-1-piperazin-1-ylprop-2-ene-1-thiol
CID 88089546
(Z)-2-(ethylamino)prop-1-ene-1-thiol
CID 89276863
(Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine
CID 118617032
(Z)-3-(aminomethylsulfanyl)-1-N,1-N,2-N-trimethylprop-2-ene-1,2-diamine
CID 118617242
(1E,3Z)-2-amino-4-(methylamino)buta-1,3-diene-1-thiol
CID 126635760
(2-Aminoprop-2-enylamino)methanethiol
CID 129033927
3-(2-Aminoprop-2-enylamino)propane-1-thiol
CID 129033939
3-[2-(Methylamino)prop-2-enylamino]propane-1-thiol
CID 129033944
3-(Prop-1-en-2-ylamino)prop-1-ene-2-thiol
CID 132204902
N-methyl-N-[2-(methylamino)prop-2-enyl]methanethioamide
CID 134334155

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol?
The IUPAC name of (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol (CID 89305261) is (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol.
What is the SMILES notation for (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol?
The canonical SMILES for (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol is CN/C(=C\S)CN.
What is the InChIKey of (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol?
The InChIKey is STHHBOWSMOFBAW-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H10N2S/c1-6-4(2-5)3-7/h3,6-7H,2,5H2,1H3/b4-3-.
What are the key properties of (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol?
(Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol has a molecular weight of 118.20 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(methylamino)prop-1-ene-1-thiol is sourced from PubChem (CID 89305261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).