(2-aminoprop-2-enylamino)methanethiol

C4H10N2S — CID 129033927

IUPAC(2-aminoprop-2-enylamino)methanethiol
SMILESC=C(N)CNCS
InChIInChI=1S/C4H10N2S/c1-4(5)2-6-3-7/h6-7H,1-3,5H2
InChIKeyYIRRFMWEGRXLKK-UHFFFAOYSA-N
MW118.20 g/mol
LogP-0.06
Rot. Bonds3

About (2-aminoprop-2-enylamino)methanethiol

(2-aminoprop-2-enylamino)methanethiol (PubChem CID 129033927) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is (2-aminoprop-2-enylamino)methanethiol.

Molecular Properties

Compound Name(2-aminoprop-2-enylamino)methanethiol
PubChem CID129033927
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name(2-aminoprop-2-enylamino)methanethiol
SMILESC=C(N)CNCS
InChIInChI=1S/C4H10N2S/c1-4(5)2-6-3-7/h6-7H,1-3,5H2
InChIKeyYIRRFMWEGRXLKK-UHFFFAOYSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminoprop-2-enylamino)methanethiol?
The IUPAC name of (2-aminoprop-2-enylamino)methanethiol (CID 129033927) is (2-aminoprop-2-enylamino)methanethiol.
What is the SMILES notation for (2-aminoprop-2-enylamino)methanethiol?
The canonical SMILES for (2-aminoprop-2-enylamino)methanethiol is C=C(N)CNCS.
What is the InChIKey of (2-aminoprop-2-enylamino)methanethiol?
The InChIKey is YIRRFMWEGRXLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-4(5)2-6-3-7/h6-7H,1-3,5H2.
What are the key properties of (2-aminoprop-2-enylamino)methanethiol?
(2-aminoprop-2-enylamino)methanethiol has a molecular weight of 118.20 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoprop-2-enylamino)methanethiol is sourced from PubChem (CID 129033927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).