1-amino-1-(cyclopropylmethyl)thiourea

C5H11N3S — CID 87250355

IUPAC1-amino-1-(cyclopropylmethyl)thiourea
SMILESNC(=S)N(N)CC1CC1
InChIInChI=1S/C5H11N3S/c6-5(9)8(7)3-4-1-2-4/h4H,1-3,7H2,(H2,6,9)
InChIKeyCTFDEGUHGLIRFN-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.18
Rot. Bonds2

About 1-amino-1-(cyclopropylmethyl)thiourea

1-amino-1-(cyclopropylmethyl)thiourea (PubChem CID 87250355) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-amino-1-(cyclopropylmethyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(cyclopropylmethyl)thiourea
PubChem CID87250355
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name1-amino-1-(cyclopropylmethyl)thiourea
SMILESNC(=S)N(N)CC1CC1
InChIInChI=1S/C5H11N3S/c6-5(9)8(7)3-4-1-2-4/h4H,1-3,7H2,(H2,6,9)
InChIKeyCTFDEGUHGLIRFN-UHFFFAOYSA-N
XLogP-0.18
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-3-(cyclopropylmethyl)thiourea
CID 28934672
1-Amino-1-cyclopropylthiourea
CID 20849946
1-Amino-1-(3-methylbutyl)thiourea
CID 20849967
1-Amino-1-butylthiourea
CID 22301220
1-(2-Methylpropyl)hydrazine-1-carbothioamide
CID 55290675
Amino-carbamothioyl-methyl-(2-methylpropyl)azanium
CID 20849976
1-(cyclopropylmethyl)-2H-tetrazole-5-thione
CID 29069839

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(cyclopropylmethyl)thiourea?
The IUPAC name of 1-amino-1-(cyclopropylmethyl)thiourea (CID 87250355) is 1-amino-1-(cyclopropylmethyl)thiourea.
What is the SMILES notation for 1-amino-1-(cyclopropylmethyl)thiourea?
The canonical SMILES for 1-amino-1-(cyclopropylmethyl)thiourea is NC(=S)N(N)CC1CC1.
What is the InChIKey of 1-amino-1-(cyclopropylmethyl)thiourea?
The InChIKey is CTFDEGUHGLIRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c6-5(9)8(7)3-4-1-2-4/h4H,1-3,7H2,(H2,6,9).
What are the key properties of 1-amino-1-(cyclopropylmethyl)thiourea?
1-amino-1-(cyclopropylmethyl)thiourea has a molecular weight of 145.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(cyclopropylmethyl)thiourea is sourced from PubChem (CID 87250355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).