butylaminothiourea

C5H13N3S — CID 23054747

IUPACbutylaminothiourea
SMILESCCCCNNC(N)=S
InChIInChI=1S/C5H13N3S/c1-2-3-4-7-8-5(6)9/h7H,2-4H2,1H3,(H3,6,8,9)
InChIKeyYRQHNWRBJAFICQ-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.12
Rot. Bonds4

About butylaminothiourea

butylaminothiourea (PubChem CID 23054747) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is butylaminothiourea.

Molecular Properties

Compound Namebutylaminothiourea
PubChem CID23054747
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Namebutylaminothiourea
SMILESCCCCNNC(N)=S
InChIInChI=1S/C5H13N3S/c1-2-3-4-7-8-5(6)9/h7H,2-4H2,1H3,(H3,6,8,9)
InChIKeyYRQHNWRBJAFICQ-UHFFFAOYSA-N
XLogP0.12
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

Hydrazinecarbothioamide, 2-propyl-
CID 3374478
2-Ethylhydrazinecarbothioamide
CID 22105028
N-isopropylthiosemicarbazone
CID 55288596
(1-Fluoropentylamino)thiourea
CID 88665073
(5-Fluoropentylamino)thiourea
CID 88665074
1-Isopropylthiocarbohydrazide
CID 15647642
6-Propyl-1,2,4,5-tetrazinane-3-thione
CID 139233727
1-Hydrazinylbutylhydrazine
CID 18969803
N-(propylamino)methanethioamide
CID 20506674
(Hexylamino)thiourea
CID 20555832
(2-Butylhydrazinyl)methanamine
CID 23529641
(Butan-2-ylamino)thiourea
CID 55290297

Frequently Asked Questions

What is the IUPAC name of butylaminothiourea?
The IUPAC name of butylaminothiourea (CID 23054747) is butylaminothiourea.
What is the SMILES notation for butylaminothiourea?
The canonical SMILES for butylaminothiourea is CCCCNNC(N)=S.
What is the InChIKey of butylaminothiourea?
The InChIKey is YRQHNWRBJAFICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-2-3-4-7-8-5(6)9/h7H,2-4H2,1H3,(H3,6,8,9).
What are the key properties of butylaminothiourea?
butylaminothiourea has a molecular weight of 147.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylaminothiourea is sourced from PubChem (CID 23054747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).