CAS RN: 136-30-1
DibutylCarbamodithioic acid sodium salt
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS136-30-1
- Purity/Analytical Methods: >99.0%
136-30-1 / sodium N,N-dibutylcarbamodithioate
Basic Information
CAS
136-30-1
Multi CAS
No
Molecular Formula
C9H18NNaS2
Molecular Weight
227.400000
Exact Mass
227.077836
SMILES
CCCCN(CCCC)C(=S)[S-].[Na+]
InChI
InChI=1S/C9H19NS2.Na/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKey
HUMLQUKVJARKRN-UHFFFAOYSA-M
Physical Properties
Physical Description
Liquid
Amber liquid; [HSDB]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
61.35
TPSA
3.24
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.24
XLogP3
-0.28
Consensus LogP
-0.27
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (99.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (34.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501
Customers Also Viewed
-
Cobalt bis(2-ethylhexanoate)
- CAS RN: 136-52-7
- Product Code: starshine_CAS136-52-7
- Purity/Analytical method: >99.0%
-
Ethylhexanoic acid zinc salt
- CAS RN: 136-53-8
- Product Code: starshine_CAS136-53-8
- Purity/Analytical method: >99.0%
-
5-(3,4-METHYLENEDIOXYPHENYL)-2,4-PENTADIENOIC ACID
- CAS RN: 136-72-1
- Product Code: SSC-044617
-
-
-
