1-(carbamothioylamino)-3-prop-1-enylthiourea

C5H10N4S2 — CID 87967428

IUPAC1-(carbamothioylamino)-3-prop-1-enylthiourea
SMILESCC=CNC(=S)NNC(N)=S
InChIInChI=1S/C5H10N4S2/c1-2-3-7-5(11)9-8-4(6)10/h2-3H,1H3,(H3,6,8,10)(H2,7,9,11)
InChIKeyACZQVBIMRZVPRM-UHFFFAOYSA-N
MW190.30 g/mol
LogP-0.27
Rot. Bonds1

About 1-(carbamothioylamino)-3-prop-1-enylthiourea

1-(carbamothioylamino)-3-prop-1-enylthiourea (PubChem CID 87967428) has the molecular formula C5H10N4S2 and a molecular weight of 190.30 g/mol. Its IUPAC name is 1-(carbamothioylamino)-3-prop-1-enylthiourea.

Molecular Properties

Compound Name1-(carbamothioylamino)-3-prop-1-enylthiourea
PubChem CID87967428
Molecular FormulaC5H10N4S2
Molecular Weight190.30 g/mol
Exact Mass190.03
IUPAC Name1-(carbamothioylamino)-3-prop-1-enylthiourea
SMILESCC=CNC(=S)NNC(N)=S
InChIInChI=1S/C5H10N4S2/c1-2-3-7-5(11)9-8-4(6)10/h2-3H,1H3,(H3,6,8,10)(H2,7,9,11)
InChIKeyACZQVBIMRZVPRM-UHFFFAOYSA-N
XLogP-0.27
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-prop-1-enyl]thiourea
CID 71777626
2-methyl-N-[(Z)-prop-1-enyl]propanethioamide
CID 130335453
(carbamothioylamino)carbamodithioic acid
CID 3033587
[(E)-2-(dimethylamino)ethenyl]thiourea
CID 156593609
N-[(Z)-prop-1-enyl]acetamide
CID 5325885
1-(carbamothioylamino)-3-(4-fluorophenyl)thiourea
CID 681193
[(3,5-dimethylbenzoyl)amino]thiourea
CID 14091240
N-[(E)-prop-1-enyl]pentanamide
CID 121306108
[(E)-prop-1-enyl]hydrazine
CID 19898087
1-(carbamothioylamino)-3-(3-methylbut-2-enyl)urea
CID 131007404
[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493
S-methyl N-[(E)-prop-1-enyl]carbamothioate
CID 142901647

Frequently Asked Questions

What is the IUPAC name of 1-(carbamothioylamino)-3-prop-1-enylthiourea?
The IUPAC name of 1-(carbamothioylamino)-3-prop-1-enylthiourea (CID 87967428) is 1-(carbamothioylamino)-3-prop-1-enylthiourea.
What is the SMILES notation for 1-(carbamothioylamino)-3-prop-1-enylthiourea?
The canonical SMILES for 1-(carbamothioylamino)-3-prop-1-enylthiourea is CC=CNC(=S)NNC(N)=S.
What is the InChIKey of 1-(carbamothioylamino)-3-prop-1-enylthiourea?
The InChIKey is ACZQVBIMRZVPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S2/c1-2-3-7-5(11)9-8-4(6)10/h2-3H,1H3,(H3,6,8,10)(H2,7,9,11).
What are the key properties of 1-(carbamothioylamino)-3-prop-1-enylthiourea?
1-(carbamothioylamino)-3-prop-1-enylthiourea has a molecular weight of 190.30 g/mol, XLogP of -0.27, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-3-prop-1-enylthiourea is sourced from PubChem (CID 87967428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).