carbamothioic S-acid;prop-1-ene

C4H9NOS — CID 87430768

IUPACcarbamothioic S-acid;prop-1-ene
SMILESC=CC.NC(=O)S
InChIInChI=1S/C3H6.CH3NOS/c1-3-2;2-1(3)4/h3H,1H2,2H3;(H3,2,3,4)
InChIKeyRKNRSEOMIAWEAE-UHFFFAOYSA-N
MW119.19 g/mol
LogP1.19
Rot. Bonds

About carbamothioic S-acid;prop-1-ene

carbamothioic S-acid;prop-1-ene (PubChem CID 87430768) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is carbamothioic S-acid;prop-1-ene.

Molecular Properties

Compound Namecarbamothioic S-acid;prop-1-ene
PubChem CID87430768
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Namecarbamothioic S-acid;prop-1-ene
SMILESC=CC.NC(=O)S
InChIInChI=1S/C3H6.CH3NOS/c1-3-2;2-1(3)4/h3H,1H2,2H3;(H3,2,3,4)
InChIKeyRKNRSEOMIAWEAE-UHFFFAOYSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanethioic S-acid;prop-1-ene
CID 174856563
but-1-ene;bis(carbamothioic S-acid)
CID 87966489
bis(carbamothioic S-acid);methanethiol
CID 173288560
CID 173462588
CID 173462588
acetamide;carbamothioic S-acid
CID 160740835
CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
bis(carbamothioic S-acid);hydrazine
CID 175156320
azane;carbamothioic S-acid
CID 12743068
sodium;bis(carbamothioic S-acid);ethane;hydride
CID 173033677
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
carbonic acid;phosphane;prop-1-ene
CID 174648548

Frequently Asked Questions

What is the IUPAC name of carbamothioic S-acid;prop-1-ene?
The IUPAC name of carbamothioic S-acid;prop-1-ene (CID 87430768) is carbamothioic S-acid;prop-1-ene.
What is the SMILES notation for carbamothioic S-acid;prop-1-ene?
The canonical SMILES for carbamothioic S-acid;prop-1-ene is C=CC.NC(=O)S.
What is the InChIKey of carbamothioic S-acid;prop-1-ene?
The InChIKey is RKNRSEOMIAWEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.CH3NOS/c1-3-2;2-1(3)4/h3H,1H2,2H3;(H3,2,3,4).
What are the key properties of carbamothioic S-acid;prop-1-ene?
carbamothioic S-acid;prop-1-ene has a molecular weight of 119.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioic S-acid;prop-1-ene is sourced from PubChem (CID 87430768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).