N,N-dimethyl-2-sulfanylbutanethioamide

C6H13NS2 — CID 57171624

IUPACN,N-dimethyl-2-sulfanylbutanethioamide
SMILESCCC(S)C(=S)N(C)C
InChIInChI=1S/C6H13NS2/c1-4-5(8)6(9)7(2)3/h5,8H,4H2,1-3H3
InChIKeyNFLDKRJPGPOSPO-UHFFFAOYSA-N
MW163.31 g/mol
LogP1.58
Rot. Bonds2

About N,N-dimethyl-2-sulfanylbutanethioamide

N,N-dimethyl-2-sulfanylbutanethioamide (PubChem CID 57171624) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is N,N-dimethyl-2-sulfanylbutanethioamide.

Molecular Properties

Compound NameN,N-dimethyl-2-sulfanylbutanethioamide
PubChem CID57171624
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC NameN,N-dimethyl-2-sulfanylbutanethioamide
SMILESCCC(S)C(=S)N(C)C
InChIInChI=1S/C6H13NS2/c1-4-5(8)6(9)7(2)3/h5,8H,4H2,1-3H3
InChIKeyNFLDKRJPGPOSPO-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dihydroxyethanethioyl)-methylamino]-2-sulfanylacetic acid
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2-sulfanylbutanoic acid
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N-methyl-N-(2-methylbutanethioyl)propanamide
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dimethylcarbamodithioic acid;iron(2+)
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CID 54599967
CID 54599967
sodium dimethylcarbamodithioic acid
CID 19877808
cerium;dimethylcarbamodithioic acid
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1,1,3,3-tetrakis(1-hydroxypropyl)thiourea
CID 21489809
2-sulfanylbutanehydrazide
CID 63590292
1-N'-butan-2-yl-1-N,1-N'-dimethyl-1-N-propan-2-ylethene-1,1-diamine
CID 170109208
(3S)-N,N,3,4-tetramethylhex-1-en-2-amine
CID 142994233

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-sulfanylbutanethioamide?
The IUPAC name of N,N-dimethyl-2-sulfanylbutanethioamide (CID 57171624) is N,N-dimethyl-2-sulfanylbutanethioamide.
What is the SMILES notation for N,N-dimethyl-2-sulfanylbutanethioamide?
The canonical SMILES for N,N-dimethyl-2-sulfanylbutanethioamide is CCC(S)C(=S)N(C)C.
What is the InChIKey of N,N-dimethyl-2-sulfanylbutanethioamide?
The InChIKey is NFLDKRJPGPOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS2/c1-4-5(8)6(9)7(2)3/h5,8H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-2-sulfanylbutanethioamide?
N,N-dimethyl-2-sulfanylbutanethioamide has a molecular weight of 163.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-sulfanylbutanethioamide is sourced from PubChem (CID 57171624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).