1-prop-2-enyl-1-sulfanylthiourea

C4H8N2S2 — CID 88798839

IUPAC1-prop-2-enyl-1-sulfanylthiourea
SMILESC=CCN(S)C(N)=S
InChIInChI=1S/C4H8N2S2/c1-2-3-6(8)4(5)7/h2,8H,1,3H2,(H2,5,7)
InChIKeyKQKQKCDWRWHKGY-UHFFFAOYSA-N
MW148.26 g/mol
LogP0.56
Rot. Bonds2

About 1-prop-2-enyl-1-sulfanylthiourea

1-prop-2-enyl-1-sulfanylthiourea (PubChem CID 88798839) has the molecular formula C4H8N2S2 and a molecular weight of 148.26 g/mol. Its IUPAC name is 1-prop-2-enyl-1-sulfanylthiourea.

Molecular Properties

Compound Name1-prop-2-enyl-1-sulfanylthiourea
PubChem CID88798839
Molecular FormulaC4H8N2S2
Molecular Weight148.26 g/mol
Exact Mass148.01
IUPAC Name1-prop-2-enyl-1-sulfanylthiourea
SMILESC=CCN(S)C(N)=S
InChIInChI=1S/C4H8N2S2/c1-2-3-6(8)4(5)7/h2,8H,1,3H2,(H2,5,7)
InChIKeyKQKQKCDWRWHKGY-UHFFFAOYSA-N
XLogP0.56
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)thiohydroxylamine
CID 87220741
bis(prop-2-enyl)carbamodithioic acid;zinc
CID 138400386
N-carbamothioyl-N-prop-2-enylpropanamide
CID 126659975
1-heptyl-1-prop-2-enylthiourea
CID 20555248
1-butyl-1-sulfanylthiourea
CID 174995959
bis(prop-2-enyl)carbamothioic S-acid;carbamothioic S-acid
CID 87059651
N'-(aminomethyl)-N'-prop-2-enylmethanediamine
CID 170275951
O-ethyl N-propan-2-yl-N-prop-2-enylcarbamothioate
CID 175747241
4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide
CID 57350859
1-(furan-2-ylmethyl)-1-prop-2-enylthiourea
CID 172640364
1,1-bis(prop-2-enyl)hydrazine;dihydrochloride
CID 174545324
N-carbamoyl-N-prop-2-enylformamide
CID 87815239

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-1-sulfanylthiourea?
The IUPAC name of 1-prop-2-enyl-1-sulfanylthiourea (CID 88798839) is 1-prop-2-enyl-1-sulfanylthiourea.
What is the SMILES notation for 1-prop-2-enyl-1-sulfanylthiourea?
The canonical SMILES for 1-prop-2-enyl-1-sulfanylthiourea is C=CCN(S)C(N)=S.
What is the InChIKey of 1-prop-2-enyl-1-sulfanylthiourea?
The InChIKey is KQKQKCDWRWHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S2/c1-2-3-6(8)4(5)7/h2,8H,1,3H2,(H2,5,7).
What are the key properties of 1-prop-2-enyl-1-sulfanylthiourea?
1-prop-2-enyl-1-sulfanylthiourea has a molecular weight of 148.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1-sulfanylthiourea is sourced from PubChem (CID 88798839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).