1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea

C8H13N3S — CID 163586216

IUPAC1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea
SMILES[H]/N=C/N(/C=C\C)C(=S)N/C=C\C
InChIInChI=1S/C8H13N3S/c1-3-5-10-8(12)11(7-9)6-4-2/h3-7,9H,1-2H3,(H,10,12)/b5-3-,6-4-,9-7+
InChIKeyGLRZLNPJZYDMDU-AQJMMWSSSA-N
MW183.28 g/mol
LogP1.84
Rot. Bonds3

About 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea

1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea (PubChem CID 163586216) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea.

Molecular Properties

Compound Name1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea
PubChem CID163586216
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea
SMILES[H]/N=C/N(/C=C\C)C(=S)N/C=C\C
InChIInChI=1S/C8H13N3S/c1-3-5-10-8(12)11(7-9)6-4-2/h3-7,9H,1-2H3,(H,10,12)/b5-3-,6-4-,9-7+
InChIKeyGLRZLNPJZYDMDU-AQJMMWSSSA-N
XLogP1.84
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-but-2-enyl]-1,3-dimethanimidoyl-3-[(Z)-prop-1-enyl]urea
CID 166718579
[(E)-prop-1-enyl]thiourea
CID 71777626
N,N-dimethylmethanimidamide;N-methylhydroxylamine
CID 156650202
1-ethenyl-1-[(Z)-hex-1-enyl]-3-methanimidoyl-3-[(Z)-prop-1-enyl]urea
CID 167181345
2-methyl-N-[(Z)-prop-1-enyl]propanethioamide
CID 130335453
1-(carbamothioylamino)-3-prop-1-enylthiourea
CID 87967428
N-[(Z)-prop-1-enyl]acetamide
CID 5325885
N,N-bis(prop-1-enyl)acetamide
CID 85447022
N-(4-amino-2-hydroxyphenyl)-N-prop-1-enylmethanimidamide
CID 123186154
N-[(E)-prop-1-enyl]pentanamide
CID 121306108
N,N-di(propan-2-yl)methanimidamide
CID 19782034
[(E)-2-(dimethylamino)ethenyl]thiourea
CID 156593609

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea?
The IUPAC name of 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea (CID 163586216) is 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea.
What is the SMILES notation for 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea?
The canonical SMILES for 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea is [H]/N=C/N(/C=C\C)C(=S)N/C=C\C.
What is the InChIKey of 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea?
The InChIKey is GLRZLNPJZYDMDU-AQJMMWSSSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-5-10-8(12)11(7-9)6-4-2/h3-7,9H,1-2H3,(H,10,12)/b5-3-,6-4-,9-7+.
What are the key properties of 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea?
1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea has a molecular weight of 183.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea is sourced from PubChem (CID 163586216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).